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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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/kb1-4e4c2890/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/kb1-4e4c2890/inputs/seq.fa: 1
curr_seq: _GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGCCUUCGGGCCAACGGAUGACCGGAGGACCGGAGCAGCUUCGGCGCCCCGGUCCCCCGGUCACCCGUCGAUCGAUCGGUUCGCCGAUCGAUCCAAAUCGGGCUUCGGUCCGGUUC
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 117 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: 590
n_atoms_counter: 590
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 117.000000 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: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -462.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.225979 (E_RNA)
where:
Base-Base interactions energy: -6.649
where: short stacking energy: -6.649
Base-Backbone interact. energy: -0.000
local terms energy: -455.576647
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -52.163
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -639.106512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.106512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.106512 (E_RNA)
where:
Base-Base interactions energy: -298.423
where: short stacking energy: -287.541
Base-Backbone interact. energy: -0.593
local terms energy: -340.090404
where:
bonds (distance) C4'-P energy: -69.040
bonds (distance) P-C4' energy: -73.963
flat angles C4'-P-C4' energy: -74.903
flat angles P-C4'-P energy: -49.097
tors. eta vs tors. theta energy: -73.087
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -590.517943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.517943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.517943 (E_RNA)
where:
Base-Base interactions energy: -261.509
where: short stacking energy: -261.509
Base-Backbone interact. energy: -0.426
local terms energy: -328.583582
where:
bonds (distance) C4'-P energy: -72.404
bonds (distance) P-C4' energy: -75.671
flat angles C4'-P-C4' energy: -75.199
flat angles P-C4'-P energy: -46.392
tors. eta vs tors. theta energy: -58.918
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -567.899452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.899452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.899452 (E_RNA)
where:
Base-Base interactions energy: -257.853
where: short stacking energy: -255.698
Base-Backbone interact. energy: -0.216
local terms energy: -309.830632
where:
bonds (distance) C4'-P energy: -59.971
bonds (distance) P-C4' energy: -69.695
flat angles C4'-P-C4' energy: -64.435
flat angles P-C4'-P energy: -52.565
tors. eta vs tors. theta energy: -63.164
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -523.323977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.323977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.323977 (E_RNA)
where:
Base-Base interactions energy: -219.798
where: short stacking energy: -218.334
Base-Backbone interact. energy: 1.386
local terms energy: -304.911955
where:
bonds (distance) C4'-P energy: -73.783
bonds (distance) P-C4' energy: -68.491
flat angles C4'-P-C4' energy: -68.183
flat angles P-C4'-P energy: -47.344
tors. eta vs tors. theta energy: -47.112
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -483.170709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.170709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.170709 (E_RNA)
where:
Base-Base interactions energy: -219.045
where: short stacking energy: -211.099
Base-Backbone interact. energy: 0.306
local terms energy: -264.432023
where:
bonds (distance) C4'-P energy: -60.254
bonds (distance) P-C4' energy: -60.432
flat angles C4'-P-C4' energy: -62.874
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -41.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -485.991563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.991563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.991563 (E_RNA)
where:
Base-Base interactions energy: -186.671
where: short stacking energy: -186.671
Base-Backbone interact. energy: -0.131
local terms energy: -299.189922
where:
bonds (distance) C4'-P energy: -74.334
bonds (distance) P-C4' energy: -72.826
flat angles C4'-P-C4' energy: -71.083
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -47.105
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -473.961691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.961691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.961691 (E_RNA)
where:
Base-Base interactions energy: -83.990
where: short stacking energy: -83.990
Base-Backbone interact. energy: -0.000
local terms energy: -389.971179
where:
bonds (distance) C4'-P energy: -76.239
bonds (distance) P-C4' energy: -86.842
flat angles C4'-P-C4' energy: -85.087
flat angles P-C4'-P energy: -86.786
tors. eta vs tors. theta energy: -55.018
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -461.180044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.180044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.180044 (E_RNA)
where:
Base-Base interactions energy: -6.194
where: short stacking energy: -6.194
Base-Backbone interact. energy: -0.000
local terms energy: -454.985579
where:
bonds (distance) C4'-P energy: -113.559
bonds (distance) P-C4' energy: -105.562
flat angles C4'-P-C4' energy: -85.319
flat angles P-C4'-P energy: -98.228
tors. eta vs tors. theta energy: -52.317
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -461.300671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.300671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.300671 (E_RNA)
where:
Base-Base interactions energy: -16.360
where: short stacking energy: -16.360
Base-Backbone interact. energy: -0.000
local terms energy: -444.940245
where:
bonds (distance) C4'-P energy: -107.696
bonds (distance) P-C4' energy: -101.020
flat angles C4'-P-C4' energy: -85.504
flat angles P-C4'-P energy: -97.009
tors. eta vs tors. theta energy: -53.711
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -461.180044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.180044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.180044 (E_RNA)
where:
Base-Base interactions energy: -6.194
where: short stacking energy: -6.194
Base-Backbone interact. energy: -0.000
local terms energy: -454.985579
where:
bonds (distance) C4'-P energy: -113.559
bonds (distance) P-C4' energy: -105.562
flat angles C4'-P-C4' energy: -85.319
flat angles P-C4'-P energy: -98.228
tors. eta vs tors. theta energy: -52.317
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -677.856409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.856409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.856409 (E_RNA)
where:
Base-Base interactions energy: -309.331
where: short stacking energy: -309.331
Base-Backbone interact. energy: 0.916
local terms energy: -369.441555
where:
bonds (distance) C4'-P energy: -80.817
bonds (distance) P-C4' energy: -73.272
flat angles C4'-P-C4' energy: -78.228
flat angles P-C4'-P energy: -59.220
tors. eta vs tors. theta energy: -77.904
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -612.625208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.625208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.625208 (E_RNA)
where:
Base-Base interactions energy: -274.068
where: short stacking energy: -256.634
Base-Backbone interact. energy: -0.784
local terms energy: -337.773006
where:
bonds (distance) C4'-P energy: -69.791
bonds (distance) P-C4' energy: -72.563
flat angles C4'-P-C4' energy: -85.417
flat angles P-C4'-P energy: -50.444
tors. eta vs tors. theta energy: -59.558
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -717.477056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.477056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.477056 (E_RNA)
where:
Base-Base interactions energy: -392.665
where: short stacking energy: -259.193
Base-Backbone interact. energy: 0.348
local terms energy: -325.159719
where:
bonds (distance) C4'-P energy: -60.113
bonds (distance) P-C4' energy: -73.665
flat angles C4'-P-C4' energy: -78.146
flat angles P-C4'-P energy: -52.431
tors. eta vs tors. theta energy: -60.806
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: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -531.669606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.669606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.669606 (E_RNA)
where:
Base-Base interactions energy: -235.589
where: short stacking energy: -200.229
Base-Backbone interact. energy: 2.121
local terms energy: -298.201459
where:
bonds (distance) C4'-P energy: -70.735
bonds (distance) P-C4' energy: -68.103
flat angles C4'-P-C4' energy: -73.848
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: -45.756
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -533.634273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.634273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.634273 (E_RNA)
where:
Base-Base interactions energy: -245.408
where: short stacking energy: -167.419
Base-Backbone interact. energy: 0.307
local terms energy: -288.533109
where:
bonds (distance) C4'-P energy: -74.897
bonds (distance) P-C4' energy: -82.302
flat angles C4'-P-C4' energy: -70.532
flat angles P-C4'-P energy: -37.927
tors. eta vs tors. theta energy: -22.875
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -550.011674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.011674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.011674 (E_RNA)
where:
Base-Base interactions energy: -289.391
where: short stacking energy: -184.857
Base-Backbone interact. energy: -1.364
local terms energy: -259.256411
where:
bonds (distance) C4'-P energy: -59.576
bonds (distance) P-C4' energy: -67.770
flat angles C4'-P-C4' energy: -63.370
flat angles P-C4'-P energy: -39.229
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -441.415674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.415674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.415674 (E_RNA)
where:
Base-Base interactions energy: -199.678
where: short stacking energy: -143.105
Base-Backbone interact. energy: 0.778
local terms energy: -242.516085
where:
bonds (distance) C4'-P energy: -68.602
bonds (distance) P-C4' energy: -62.952
flat angles C4'-P-C4' energy: -65.238
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -388.935602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.935602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.935602 (E_RNA)
where:
Base-Base interactions energy: -167.328
where: short stacking energy: -136.023
Base-Backbone interact. energy: -1.212
local terms energy: -220.395925
where:
bonds (distance) C4'-P energy: -51.274
bonds (distance) P-C4' energy: -69.941
flat angles C4'-P-C4' energy: -67.084
flat angles P-C4'-P energy: -28.585
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -345.528525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.528525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.528525 (E_RNA)
where:
Base-Base interactions energy: -124.344
where: short stacking energy: -103.191
Base-Backbone interact. energy: -0.627
local terms energy: -220.556948
where:
bonds (distance) C4'-P energy: -61.239
bonds (distance) P-C4' energy: -65.716
flat angles C4'-P-C4' energy: -55.041
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -6.537
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -310.169626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.169626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.169626 (E_RNA)
where:
Base-Base interactions energy: -104.972
where: short stacking energy: -101.395
Base-Backbone interact. energy: 0.403
local terms energy: -205.601015
where:
bonds (distance) C4'-P energy: -50.177
bonds (distance) P-C4' energy: -61.280
flat angles C4'-P-C4' energy: -60.646
flat angles P-C4'-P energy: -27.944
tors. eta vs tors. theta energy: -5.554
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -665.729971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.729971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.729971 (E_RNA)
where:
Base-Base interactions energy: -310.476
where: short stacking energy: -271.955
Base-Backbone interact. energy: -0.797
local terms energy: -354.456898
where:
bonds (distance) C4'-P energy: -70.008
bonds (distance) P-C4' energy: -77.217
flat angles C4'-P-C4' energy: -83.181
flat angles P-C4'-P energy: -57.799
tors. eta vs tors. theta energy: -66.251
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: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -656.500409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.500409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.500409 (E_RNA)
where:
Base-Base interactions energy: -333.725
where: short stacking energy: -257.365
Base-Backbone interact. energy: -1.034
local terms energy: -321.741113
where:
bonds (distance) C4'-P energy: -69.346
bonds (distance) P-C4' energy: -70.021
flat angles C4'-P-C4' energy: -77.720
flat angles P-C4'-P energy: -52.505
tors. eta vs tors. theta energy: -52.150
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: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -806.879764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.879764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.879764 (E_RNA)
where:
Base-Base interactions energy: -471.946
where: short stacking energy: -284.441
Base-Backbone interact. energy: -1.339
local terms energy: -333.594116
where:
bonds (distance) C4'-P energy: -71.115
bonds (distance) P-C4' energy: -78.614
flat angles C4'-P-C4' energy: -73.901
flat angles P-C4'-P energy: -39.768
tors. eta vs tors. theta energy: -70.197
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: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -617.154146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.154146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.154146 (E_RNA)
where:
Base-Base interactions energy: -333.555
where: short stacking energy: -217.836
Base-Backbone interact. energy: -0.924
local terms energy: -282.675237
where:
bonds (distance) C4'-P energy: -74.079
bonds (distance) P-C4' energy: -73.219
flat angles C4'-P-C4' energy: -59.622
flat angles P-C4'-P energy: -40.629
tors. eta vs tors. theta energy: -35.127
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -624.250932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.250932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.250932 (E_RNA)
where:
Base-Base interactions energy: -321.563
where: short stacking energy: -221.878
Base-Backbone interact. energy: -0.579
local terms energy: -302.109498
where:
bonds (distance) C4'-P energy: -76.151
bonds (distance) P-C4' energy: -74.399
flat angles C4'-P-C4' energy: -79.308
flat angles P-C4'-P energy: -37.363
tors. eta vs tors. theta energy: -34.888
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: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -546.497768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.497768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.497768 (E_RNA)
where:
Base-Base interactions energy: -289.402
where: short stacking energy: -174.293
Base-Backbone interact. energy: -2.634
local terms energy: -254.461642
where:
bonds (distance) C4'-P energy: -63.978
bonds (distance) P-C4' energy: -52.674
flat angles C4'-P-C4' energy: -75.584
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -23.922
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: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -519.094537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.094537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.094537 (E_RNA)
where:
Base-Base interactions energy: -282.353
where: short stacking energy: -170.804
Base-Backbone interact. energy: -0.813
local terms energy: -235.927986
where:
bonds (distance) C4'-P energy: -50.908
bonds (distance) P-C4' energy: -76.432
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -33.167
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -382.009735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.009735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.009735 (E_RNA)
where:
Base-Base interactions energy: -155.888
where: short stacking energy: -130.329
Base-Backbone interact. energy: 0.978
local terms energy: -227.100325
where:
bonds (distance) C4'-P energy: -55.500
bonds (distance) P-C4' energy: -62.569
flat angles C4'-P-C4' energy: -63.740
flat angles P-C4'-P energy: -39.112
tors. eta vs tors. theta energy: -6.180
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -358.837888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.837888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.837888 (E_RNA)
where:
Base-Base interactions energy: -153.208
where: short stacking energy: -103.461
Base-Backbone interact. energy: 4.152
local terms energy: -209.782232
where:
bonds (distance) C4'-P energy: -60.402
bonds (distance) P-C4' energy: -66.912
flat angles C4'-P-C4' energy: -55.244
flat angles P-C4'-P energy: -36.455
tors. eta vs tors. theta energy: 9.231
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: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -325.135008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.135008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.135008 (E_RNA)
where:
Base-Base interactions energy: -119.085
where: short stacking energy: -112.397
Base-Backbone interact. energy: -0.365
local terms energy: -205.684909
where:
bonds (distance) C4'-P energy: -58.797
bonds (distance) P-C4' energy: -61.516
flat angles C4'-P-C4' energy: -43.824
flat angles P-C4'-P energy: -46.522
tors. eta vs tors. theta energy: 4.974
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -766.670707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.670707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.670707 (E_RNA)
where:
Base-Base interactions energy: -419.039
where: short stacking energy: -311.970
Base-Backbone interact. energy: -0.978
local terms energy: -346.654187
where:
bonds (distance) C4'-P energy: -74.720
bonds (distance) P-C4' energy: -73.154
flat angles C4'-P-C4' energy: -69.766
flat angles P-C4'-P energy: -49.794
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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -901.582112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.582112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.582112 (E_RNA)
where:
Base-Base interactions energy: -579.222
where: short stacking energy: -296.183
Base-Backbone interact. energy: 1.069
local terms energy: -323.428957
where:
bonds (distance) C4'-P energy: -68.727
bonds (distance) P-C4' energy: -71.442
flat angles C4'-P-C4' energy: -71.445
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -68.142
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: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -666.771913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.771913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.771913 (E_RNA)
where:
Base-Base interactions energy: -352.392
where: short stacking energy: -226.631
Base-Backbone interact. energy: -2.905
local terms energy: -311.475137
where:
bonds (distance) C4'-P energy: -81.082
bonds (distance) P-C4' energy: -64.968
flat angles C4'-P-C4' energy: -76.644
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -47.592
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: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -736.334703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.334703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.334703 (E_RNA)
where:
Base-Base interactions energy: -406.106
where: short stacking energy: -284.885
Base-Backbone interact. energy: -0.107
local terms energy: -330.121773
where:
bonds (distance) C4'-P energy: -69.439
bonds (distance) P-C4' energy: -68.884
flat angles C4'-P-C4' energy: -64.625
flat angles P-C4'-P energy: -53.654
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: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -576.979625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.979625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.979625 (E_RNA)
where:
Base-Base interactions energy: -331.390
where: short stacking energy: -191.436
Base-Backbone interact. energy: -2.009
local terms energy: -243.580998
where:
bonds (distance) C4'-P energy: -64.466
bonds (distance) P-C4' energy: -63.896
flat angles C4'-P-C4' energy: -53.675
flat angles P-C4'-P energy: -41.951
tors. eta vs tors. theta energy: -19.593
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: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -569.432888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.432888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.432888 (E_RNA)
where:
Base-Base interactions energy: -302.985
where: short stacking energy: -188.664
Base-Backbone interact. energy: 0.232
local terms energy: -266.679006
where:
bonds (distance) C4'-P energy: -61.954
bonds (distance) P-C4' energy: -65.178
flat angles C4'-P-C4' energy: -67.035
flat angles P-C4'-P energy: -48.581
tors. eta vs tors. theta energy: -23.930
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: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -582.881240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.881240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.881240 (E_RNA)
where:
Base-Base interactions energy: -338.052
where: short stacking energy: -182.961
Base-Backbone interact. energy: 1.905
local terms energy: -246.735071
where:
bonds (distance) C4'-P energy: -64.756
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -55.025
flat angles P-C4'-P energy: -39.668
tors. eta vs tors. theta energy: -14.853
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: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -408.637612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.637612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.637612 (E_RNA)
where:
Base-Base interactions energy: -183.383
where: short stacking energy: -134.530
Base-Backbone interact. energy: -1.478
local terms energy: -223.776982
where:
bonds (distance) C4'-P energy: -54.287
bonds (distance) P-C4' energy: -67.274
flat angles C4'-P-C4' energy: -57.154
flat angles P-C4'-P energy: -35.915
tors. eta vs tors. theta energy: -9.148
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: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -330.996973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.996973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.996973 (E_RNA)
where:
Base-Base interactions energy: -127.505
where: short stacking energy: -96.266
Base-Backbone interact. energy: -2.323
local terms energy: -201.169276
where:
bonds (distance) C4'-P energy: -64.959
bonds (distance) P-C4' energy: -67.916
flat angles C4'-P-C4' energy: -54.562
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: 11.367
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: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -335.580641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.580641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.580641 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -106.949
Base-Backbone interact. energy: 0.685
local terms energy: -197.802880
where:
bonds (distance) C4'-P energy: -52.801
bonds (distance) P-C4' energy: -66.444
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -35.139
tors. eta vs tors. theta energy: 2.030
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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -993.388534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.388534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.388534 (E_RNA)
where:
Base-Base interactions energy: -658.894
where: short stacking energy: -310.922
Base-Backbone interact. energy: 1.553
local terms energy: -336.048254
where:
bonds (distance) C4'-P energy: -68.593
bonds (distance) P-C4' energy: -74.897
flat angles C4'-P-C4' energy: -72.880
flat angles P-C4'-P energy: -44.306
tors. eta vs tors. theta energy: -75.372
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: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -924.420927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.420927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.420927 (E_RNA)
where:
Base-Base interactions energy: -598.777
where: short stacking energy: -329.732
Base-Backbone interact. energy: 1.743
local terms energy: -327.386378
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -78.722
flat angles C4'-P-C4' energy: -75.778
flat angles P-C4'-P energy: -41.631
tors. eta vs tors. theta energy: -66.159
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: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -744.155100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.155100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.155100 (E_RNA)
where:
Base-Base interactions energy: -420.466
where: short stacking energy: -262.158
Base-Backbone interact. energy: -1.803
local terms energy: -321.885442
where:
bonds (distance) C4'-P energy: -72.931
bonds (distance) P-C4' energy: -71.788
flat angles C4'-P-C4' energy: -74.550
flat angles P-C4'-P energy: -40.749
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: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -696.565890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.565890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.565890 (E_RNA)
where:
Base-Base interactions energy: -387.992
where: short stacking energy: -254.369
Base-Backbone interact. energy: -0.650
local terms energy: -307.923712
where:
bonds (distance) C4'-P energy: -56.864
bonds (distance) P-C4' energy: -64.812
flat angles C4'-P-C4' energy: -70.473
flat angles P-C4'-P energy: -50.403
tors. eta vs tors. theta energy: -65.372
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: 6
Temperature: 1.100000
Total energy: -645.362765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.362765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.362765 (E_RNA)
where:
Base-Base interactions energy: -331.962
where: short stacking energy: -215.258
Base-Backbone interact. energy: 1.351
local terms energy: -314.751899
where:
bonds (distance) C4'-P energy: -67.821
bonds (distance) P-C4' energy: -71.238
flat angles C4'-P-C4' energy: -72.679
flat angles P-C4'-P energy: -53.628
tors. eta vs tors. theta energy: -49.385
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: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -565.976450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.976450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.976450 (E_RNA)
where:
Base-Base interactions energy: -315.033
where: short stacking energy: -167.408
Base-Backbone interact. energy: 1.189
local terms energy: -252.132437
where:
bonds (distance) C4'-P energy: -58.549
bonds (distance) P-C4' energy: -61.665
flat angles C4'-P-C4' energy: -68.628
flat angles P-C4'-P energy: -30.788
tors. eta vs tors. theta energy: -32.502
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: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -656.187239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.187239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.187239 (E_RNA)
where:
Base-Base interactions energy: -413.420
where: short stacking energy: -201.645
Base-Backbone interact. energy: 1.781
local terms energy: -244.548182
where:
bonds (distance) C4'-P energy: -55.627
bonds (distance) P-C4' energy: -55.408
flat angles C4'-P-C4' energy: -51.654
flat angles P-C4'-P energy: -43.640
tors. eta vs tors. theta energy: -38.219
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: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -460.651953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.651953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.651953 (E_RNA)
where:
Base-Base interactions energy: -241.448
where: short stacking energy: -147.415
Base-Backbone interact. energy: 1.178
local terms energy: -220.382536
where:
bonds (distance) C4'-P energy: -66.960
bonds (distance) P-C4' energy: -56.391
flat angles C4'-P-C4' energy: -53.603
flat angles P-C4'-P energy: -36.698
tors. eta vs tors. theta energy: -6.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -355.781541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.781541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.781541 (E_RNA)
where:
Base-Base interactions energy: -127.239
where: short stacking energy: -124.855
Base-Backbone interact. energy: 1.094
local terms energy: -229.636688
where:
bonds (distance) C4'-P energy: -63.241
bonds (distance) P-C4' energy: -68.173
flat angles C4'-P-C4' energy: -64.314
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: 6.220
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: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -365.006213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.006213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.006213 (E_RNA)
where:
Base-Base interactions energy: -176.436
where: short stacking energy: -102.137
Base-Backbone interact. energy: 1.518
local terms energy: -190.088581
where:
bonds (distance) C4'-P energy: -66.825
bonds (distance) P-C4' energy: -52.716
flat angles C4'-P-C4' energy: -49.028
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: 1.291
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: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1047.929549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.929549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.929549 (E_RNA)
where:
Base-Base interactions energy: -715.157
where: short stacking energy: -290.053
Base-Backbone interact. energy: -0.953
local terms energy: -331.819539
where:
bonds (distance) C4'-P energy: -71.203
bonds (distance) P-C4' energy: -68.012
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -35.572
tors. eta vs tors. theta energy: -76.634
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: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -936.158490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.158490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.158490 (E_RNA)
where:
Base-Base interactions energy: -590.298
where: short stacking energy: -313.631
Base-Backbone interact. energy: 0.990
local terms energy: -346.849906
where:
bonds (distance) C4'-P energy: -65.121
bonds (distance) P-C4' energy: -79.107
flat angles C4'-P-C4' energy: -80.996
flat angles P-C4'-P energy: -51.021
tors. eta vs tors. theta energy: -70.605
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: 3, replica: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -711.584182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.584182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.584182 (E_RNA)
where:
Base-Base interactions energy: -384.350
where: short stacking energy: -253.393
Base-Backbone interact. energy: -0.123
local terms energy: -327.111040
where:
bonds (distance) C4'-P energy: -72.163
bonds (distance) P-C4' energy: -74.082
flat angles C4'-P-C4' energy: -76.621
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: -59.401
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: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -707.594379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.594379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.594379 (E_RNA)
where:
Base-Base interactions energy: -410.271
where: short stacking energy: -249.205
Base-Backbone interact. energy: -2.008
local terms energy: -295.315721
where:
bonds (distance) C4'-P energy: -68.567
bonds (distance) P-C4' energy: -71.816
flat angles C4'-P-C4' energy: -65.763
flat angles P-C4'-P energy: -43.962
tors. eta vs tors. theta energy: -45.207
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: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -624.256037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.256037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.256037 (E_RNA)
where:
Base-Base interactions energy: -334.462
where: short stacking energy: -213.156
Base-Backbone interact. energy: 0.173
local terms energy: -289.967726
where:
bonds (distance) C4'-P energy: -74.546
bonds (distance) P-C4' energy: -64.983
flat angles C4'-P-C4' energy: -79.717
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -41.255
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: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -717.155342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.155342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.155342 (E_RNA)
where:
Base-Base interactions energy: -428.563
where: short stacking energy: -211.216
Base-Backbone interact. energy: -1.210
local terms energy: -287.381924
where:
bonds (distance) C4'-P energy: -67.564
bonds (distance) P-C4' energy: -60.665
flat angles C4'-P-C4' energy: -72.725
flat angles P-C4'-P energy: -42.468
tors. eta vs tors. theta energy: -43.961
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: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -595.644635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.644635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.644635 (E_RNA)
where:
Base-Base interactions energy: -346.272
where: short stacking energy: -170.240
Base-Backbone interact. energy: -1.643
local terms energy: -247.728982
where:
bonds (distance) C4'-P energy: -66.473
bonds (distance) P-C4' energy: -64.360
flat angles C4'-P-C4' energy: -61.461
flat angles P-C4'-P energy: -35.622
tors. eta vs tors. theta energy: -19.812
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: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -501.528212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.528212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.528212 (E_RNA)
where:
Base-Base interactions energy: -273.361
where: short stacking energy: -150.669
Base-Backbone interact. energy: 0.090
local terms energy: -228.257170
where:
bonds (distance) C4'-P energy: -43.087
bonds (distance) P-C4' energy: -70.679
flat angles C4'-P-C4' energy: -63.713
flat angles P-C4'-P energy: -36.538
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: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -366.649338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.649338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.649338 (E_RNA)
where:
Base-Base interactions energy: -163.130
where: short stacking energy: -122.425
Base-Backbone interact. energy: 0.563
local terms energy: -204.081894
where:
bonds (distance) C4'-P energy: -60.152
bonds (distance) P-C4' energy: -56.212
flat angles C4'-P-C4' energy: -50.757
flat angles P-C4'-P energy: -32.317
tors. eta vs tors. theta energy: -4.644
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -346.058073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.058073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.058073 (E_RNA)
where:
Base-Base interactions energy: -160.547
where: short stacking energy: -100.175
Base-Backbone interact. energy: -1.634
local terms energy: -183.876797
where:
bonds (distance) C4'-P energy: -54.696
bonds (distance) P-C4' energy: -64.635
flat angles C4'-P-C4' energy: -42.935
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: 19.867
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: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1076.968555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.968555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.968555 (E_RNA)
where:
Base-Base interactions energy: -723.243
where: short stacking energy: -334.618
Base-Backbone interact. energy: -0.871
local terms energy: -352.854075
where:
bonds (distance) C4'-P energy: -65.043
bonds (distance) P-C4' energy: -82.948
flat angles C4'-P-C4' energy: -83.915
flat angles P-C4'-P energy: -47.919
tors. eta vs tors. theta energy: -73.029
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: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1017.828333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.828333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.828333 (E_RNA)
where:
Base-Base interactions energy: -658.353
where: short stacking energy: -325.368
Base-Backbone interact. energy: -2.269
local terms energy: -357.205585
where:
bonds (distance) C4'-P energy: -76.446
bonds (distance) P-C4' energy: -70.482
flat angles C4'-P-C4' energy: -78.050
flat angles P-C4'-P energy: -50.727
tors. eta vs tors. theta energy: -81.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -728.381575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.381575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.381575 (E_RNA)
where:
Base-Base interactions energy: -393.300
where: short stacking energy: -248.432
Base-Backbone interact. energy: -1.430
local terms energy: -333.651943
where:
bonds (distance) C4'-P energy: -77.299
bonds (distance) P-C4' energy: -76.961
flat angles C4'-P-C4' energy: -78.264
flat angles P-C4'-P energy: -50.667
tors. eta vs tors. theta energy: -50.460
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: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -709.161230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.161230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.161230 (E_RNA)
where:
Base-Base interactions energy: -407.705
where: short stacking energy: -244.654
Base-Backbone interact. energy: 1.177
local terms energy: -302.633956
where:
bonds (distance) C4'-P energy: -68.980
bonds (distance) P-C4' energy: -67.774
flat angles C4'-P-C4' energy: -71.152
flat angles P-C4'-P energy: -50.969
tors. eta vs tors. theta energy: -43.760
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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -792.223503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.223503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.223503 (E_RNA)
where:
Base-Base interactions energy: -509.502
where: short stacking energy: -247.113
Base-Backbone interact. energy: -0.067
local terms energy: -282.653742
where:
bonds (distance) C4'-P energy: -56.098
bonds (distance) P-C4' energy: -56.278
flat angles C4'-P-C4' energy: -76.655
flat angles P-C4'-P energy: -48.854
tors. eta vs tors. theta energy: -44.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -633.642225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.642225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.642225 (E_RNA)
where:
Base-Base interactions energy: -315.776
where: short stacking energy: -169.835
Base-Backbone interact. energy: -2.731
local terms energy: -315.135481
where:
bonds (distance) C4'-P energy: -72.233
bonds (distance) P-C4' energy: -80.977
flat angles C4'-P-C4' energy: -75.623
flat angles P-C4'-P energy: -46.255
tors. eta vs tors. theta energy: -40.046
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: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -652.431627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.431627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.431627 (E_RNA)
where:
Base-Base interactions energy: -382.390
where: short stacking energy: -216.644
Base-Backbone interact. energy: -0.651
local terms energy: -269.390560
where:
bonds (distance) C4'-P energy: -56.352
bonds (distance) P-C4' energy: -68.700
flat angles C4'-P-C4' energy: -64.485
flat angles P-C4'-P energy: -40.212
tors. eta vs tors. theta energy: -39.641
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: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -511.318502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.318502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.318502 (E_RNA)
where:
Base-Base interactions energy: -278.902
where: short stacking energy: -164.503
Base-Backbone interact. energy: 0.153
local terms energy: -232.569312
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -49.785
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -26.174
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: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -350.552065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.552065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.552065 (E_RNA)
where:
Base-Base interactions energy: -131.191
where: short stacking energy: -120.099
Base-Backbone interact. energy: -1.090
local terms energy: -218.271784
where:
bonds (distance) C4'-P energy: -58.841
bonds (distance) P-C4' energy: -67.467
flat angles C4'-P-C4' energy: -62.131
flat angles P-C4'-P energy: -31.928
tors. eta vs tors. theta energy: 2.095
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: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -336.437847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.437847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.437847 (E_RNA)
where:
Base-Base interactions energy: -153.241
where: short stacking energy: -79.536
Base-Backbone interact. energy: 0.353
local terms energy: -183.549857
where:
bonds (distance) C4'-P energy: -59.884
bonds (distance) P-C4' energy: -59.924
flat angles C4'-P-C4' energy: -48.861
flat angles P-C4'-P energy: -29.746
tors. eta vs tors. theta energy: 14.865
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: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1120.219322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.219322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.219322 (E_RNA)
where:
Base-Base interactions energy: -756.105
where: short stacking energy: -365.195
Base-Backbone interact. energy: -0.844
local terms energy: -363.270500
where:
bonds (distance) C4'-P energy: -70.411
bonds (distance) P-C4' energy: -70.727
flat angles C4'-P-C4' energy: -81.807
flat angles P-C4'-P energy: -48.004
tors. eta vs tors. theta energy: -92.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1040.885735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.885735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.885735 (E_RNA)
where:
Base-Base interactions energy: -680.478
where: short stacking energy: -340.776
Base-Backbone interact. energy: 0.321
local terms energy: -360.729044
where:
bonds (distance) C4'-P energy: -68.754
bonds (distance) P-C4' energy: -70.241
flat angles C4'-P-C4' energy: -87.612
flat angles P-C4'-P energy: -51.573
tors. eta vs tors. theta energy: -82.549
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: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -768.676936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.676936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.676936 (E_RNA)
where:
Base-Base interactions energy: -449.688
where: short stacking energy: -269.970
Base-Backbone interact. energy: -1.263
local terms energy: -317.725998
where:
bonds (distance) C4'-P energy: -75.057
bonds (distance) P-C4' energy: -76.159
flat angles C4'-P-C4' energy: -75.617
flat angles P-C4'-P energy: -30.389
tors. eta vs tors. theta energy: -60.505
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: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -863.849405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.849405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.849405 (E_RNA)
where:
Base-Base interactions energy: -578.189
where: short stacking energy: -265.347
Base-Backbone interact. energy: -0.627
local terms energy: -285.033636
where:
bonds (distance) C4'-P energy: -70.113
bonds (distance) P-C4' energy: -48.490
flat angles C4'-P-C4' energy: -71.156
flat angles P-C4'-P energy: -48.878
tors. eta vs tors. theta energy: -46.398
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: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -666.244071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.244071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.244071 (E_RNA)
where:
Base-Base interactions energy: -371.308
where: short stacking energy: -198.519
Base-Backbone interact. energy: 0.001
local terms energy: -294.937011
where:
bonds (distance) C4'-P energy: -66.369
bonds (distance) P-C4' energy: -73.581
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -45.127
tors. eta vs tors. theta energy: -36.819
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: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -635.239438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.239438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.239438 (E_RNA)
where:
Base-Base interactions energy: -371.635
where: short stacking energy: -208.712
Base-Backbone interact. energy: -1.789
local terms energy: -261.814890
where:
bonds (distance) C4'-P energy: -58.214
bonds (distance) P-C4' energy: -62.241
flat angles C4'-P-C4' energy: -62.447
flat angles P-C4'-P energy: -43.341
tors. eta vs tors. theta energy: -35.572
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: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -639.897617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.897617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.897617 (E_RNA)
where:
Base-Base interactions energy: -372.312
where: short stacking energy: -168.947
Base-Backbone interact. energy: -3.036
local terms energy: -264.549798
where:
bonds (distance) C4'-P energy: -67.098
bonds (distance) P-C4' energy: -72.225
flat angles C4'-P-C4' energy: -64.123
flat angles P-C4'-P energy: -37.011
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -525.478984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.478984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.478984 (E_RNA)
where:
Base-Base interactions energy: -292.949
where: short stacking energy: -153.349
Base-Backbone interact. energy: -1.442
local terms energy: -231.088510
where:
bonds (distance) C4'-P energy: -50.444
bonds (distance) P-C4' energy: -64.507
flat angles C4'-P-C4' energy: -57.188
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -18.990
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: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -569.220254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.220254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.220254 (E_RNA)
where:
Base-Base interactions energy: -336.128
where: short stacking energy: -150.823
Base-Backbone interact. energy: 0.042
local terms energy: -233.133450
where:
bonds (distance) C4'-P energy: -62.338
bonds (distance) P-C4' energy: -66.000
flat angles C4'-P-C4' energy: -50.886
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -23.173
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -379.770504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.770504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.770504 (E_RNA)
where:
Base-Base interactions energy: -155.371
where: short stacking energy: -93.418
Base-Backbone interact. energy: 1.249
local terms energy: -225.648530
where:
bonds (distance) C4'-P energy: -66.561
bonds (distance) P-C4' energy: -66.920
flat angles C4'-P-C4' energy: -61.012
flat angles P-C4'-P energy: -30.246
tors. eta vs tors. theta energy: -0.910
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: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1119.857589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.857589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.857589 (E_RNA)
where:
Base-Base interactions energy: -757.630
where: short stacking energy: -328.397
Base-Backbone interact. energy: -2.515
local terms energy: -359.711662
where:
bonds (distance) C4'-P energy: -71.539
bonds (distance) P-C4' energy: -82.775
flat angles C4'-P-C4' energy: -80.473
flat angles P-C4'-P energy: -40.942
tors. eta vs tors. theta energy: -83.982
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1034.504181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.504181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.504181 (E_RNA)
where:
Base-Base interactions energy: -682.270
where: short stacking energy: -332.113
Base-Backbone interact. energy: 0.958
local terms energy: -353.191784
where:
bonds (distance) C4'-P energy: -72.187
bonds (distance) P-C4' energy: -71.577
flat angles C4'-P-C4' energy: -82.409
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: -80.355
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: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -952.981702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.981702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.981702 (E_RNA)
where:
Base-Base interactions energy: -640.590
where: short stacking energy: -284.303
Base-Backbone interact. energy: 1.129
local terms energy: -313.520351
where:
bonds (distance) C4'-P energy: -66.874
bonds (distance) P-C4' energy: -61.454
flat angles C4'-P-C4' energy: -79.103
flat angles P-C4'-P energy: -41.742
tors. eta vs tors. theta energy: -64.347
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: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -765.043331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.043331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.043331 (E_RNA)
where:
Base-Base interactions energy: -477.188
where: short stacking energy: -251.265
Base-Backbone interact. energy: 0.782
local terms energy: -288.636971
where:
bonds (distance) C4'-P energy: -67.998
bonds (distance) P-C4' energy: -57.762
flat angles C4'-P-C4' energy: -66.264
flat angles P-C4'-P energy: -48.199
tors. eta vs tors. theta energy: -48.414
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: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -775.309621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.309621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.309621 (E_RNA)
where:
Base-Base interactions energy: -482.600
where: short stacking energy: -234.696
Base-Backbone interact. energy: -0.359
local terms energy: -292.350843
where:
bonds (distance) C4'-P energy: -65.899
bonds (distance) P-C4' energy: -66.156
flat angles C4'-P-C4' energy: -68.430
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -51.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -635.197701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.197701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.197701 (E_RNA)
where:
Base-Base interactions energy: -343.145
where: short stacking energy: -210.879
Base-Backbone interact. energy: 2.312
local terms energy: -294.364428
where:
bonds (distance) C4'-P energy: -65.061
bonds (distance) P-C4' energy: -78.995
flat angles C4'-P-C4' energy: -69.467
flat angles P-C4'-P energy: -38.419
tors. eta vs tors. theta energy: -42.422
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: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -595.693593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.693593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.693593 (E_RNA)
where:
Base-Base interactions energy: -364.542
where: short stacking energy: -184.341
Base-Backbone interact. energy: -0.804
local terms energy: -230.347337
where:
bonds (distance) C4'-P energy: -64.444
bonds (distance) P-C4' energy: -56.040
flat angles C4'-P-C4' energy: -64.047
flat angles P-C4'-P energy: -42.538
tors. eta vs tors. theta energy: -3.279
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: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -620.028247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.028247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.028247 (E_RNA)
where:
Base-Base interactions energy: -376.708
where: short stacking energy: -190.917
Base-Backbone interact. energy: 2.234
local terms energy: -245.553876
where:
bonds (distance) C4'-P energy: -52.342
bonds (distance) P-C4' energy: -65.199
flat angles C4'-P-C4' energy: -61.165
flat angles P-C4'-P energy: -37.180
tors. eta vs tors. theta energy: -29.668
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: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -629.026328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.026328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.026328 (E_RNA)
where:
Base-Base interactions energy: -384.661
where: short stacking energy: -188.440
Base-Backbone interact. energy: 2.666
local terms energy: -247.030903
where:
bonds (distance) C4'-P energy: -49.010
bonds (distance) P-C4' energy: -65.930
flat angles C4'-P-C4' energy: -57.128
flat angles P-C4'-P energy: -42.880
tors. eta vs tors. theta energy: -32.083
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: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -478.281582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.281582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.281582 (E_RNA)
where:
Base-Base interactions energy: -273.157
where: short stacking energy: -145.786
Base-Backbone interact. energy: -0.647
local terms energy: -204.477381
where:
bonds (distance) C4'-P energy: -58.562
bonds (distance) P-C4' energy: -69.298
flat angles C4'-P-C4' energy: -45.328
flat angles P-C4'-P energy: -33.166
tors. eta vs tors. theta energy: 1.878
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: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1136.221280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.221280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.221280 (E_RNA)
where:
Base-Base interactions energy: -774.191
where: short stacking energy: -335.553
Base-Backbone interact. energy: -1.443
local terms energy: -360.588046
where:
bonds (distance) C4'-P energy: -81.617
bonds (distance) P-C4' energy: -65.434
flat angles C4'-P-C4' energy: -78.450
flat angles P-C4'-P energy: -44.419
tors. eta vs tors. theta energy: -90.668
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: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1042.385087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.385087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.385087 (E_RNA)
where:
Base-Base interactions energy: -672.110
where: short stacking energy: -326.287
Base-Backbone interact. energy: 1.108
local terms energy: -371.383389
where:
bonds (distance) C4'-P energy: -67.210
bonds (distance) P-C4' energy: -84.078
flat angles C4'-P-C4' energy: -83.793
flat angles P-C4'-P energy: -58.665
tors. eta vs tors. theta energy: -77.636
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: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -964.616854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.616854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.616854 (E_RNA)
where:
Base-Base interactions energy: -654.796
where: short stacking energy: -298.313
Base-Backbone interact. energy: 0.970
local terms energy: -310.790580
where:
bonds (distance) C4'-P energy: -64.744
bonds (distance) P-C4' energy: -75.772
flat angles C4'-P-C4' energy: -78.183
flat angles P-C4'-P energy: -33.804
tors. eta vs tors. theta energy: -58.286
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: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -892.083929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.083929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.083929 (E_RNA)
where:
Base-Base interactions energy: -563.764
where: short stacking energy: -284.899
Base-Backbone interact. energy: -1.918
local terms energy: -326.402651
where:
bonds (distance) C4'-P energy: -69.040
bonds (distance) P-C4' energy: -65.052
flat angles C4'-P-C4' energy: -81.959
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -70.652
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: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -780.746787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.746787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.746787 (E_RNA)
where:
Base-Base interactions energy: -496.092
where: short stacking energy: -240.553
Base-Backbone interact. energy: -0.065
local terms energy: -284.589374
where:
bonds (distance) C4'-P energy: -54.738
bonds (distance) P-C4' energy: -61.712
flat angles C4'-P-C4' energy: -74.911
flat angles P-C4'-P energy: -39.332
tors. eta vs tors. theta energy: -53.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -753.628645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.628645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.628645 (E_RNA)
where:
Base-Base interactions energy: -478.088
where: short stacking energy: -222.311
Base-Backbone interact. energy: 1.923
local terms energy: -277.463442
where:
bonds (distance) C4'-P energy: -62.927
bonds (distance) P-C4' energy: -61.049
flat angles C4'-P-C4' energy: -60.473
flat angles P-C4'-P energy: -44.324
tors. eta vs tors. theta energy: -48.690
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: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -542.074918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.074918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.074918 (E_RNA)
where:
Base-Base interactions energy: -306.659
where: short stacking energy: -162.565
Base-Backbone interact. energy: 0.282
local terms energy: -235.697477
where:
bonds (distance) C4'-P energy: -56.093
bonds (distance) P-C4' energy: -57.138
flat angles C4'-P-C4' energy: -70.775
flat angles P-C4'-P energy: -44.561
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -650.075157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.075157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.075157 (E_RNA)
where:
Base-Base interactions energy: -401.090
where: short stacking energy: -203.346
Base-Backbone interact. energy: 1.164
local terms energy: -250.149034
where:
bonds (distance) C4'-P energy: -53.208
bonds (distance) P-C4' energy: -49.734
flat angles C4'-P-C4' energy: -66.775
flat angles P-C4'-P energy: -43.773
tors. eta vs tors. theta energy: -36.659
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: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -551.636476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.636476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.636476 (E_RNA)
where:
Base-Base interactions energy: -330.787
where: short stacking energy: -149.117
Base-Backbone interact. energy: 1.467
local terms energy: -222.316384
where:
bonds (distance) C4'-P energy: -64.883
bonds (distance) P-C4' energy: -55.243
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -35.010
tors. eta vs tors. theta energy: -9.038
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: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -472.785415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.785415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.785415 (E_RNA)
where:
Base-Base interactions energy: -263.338
where: short stacking energy: -137.083
Base-Backbone interact. energy: 4.691
local terms energy: -214.137881
where:
bonds (distance) C4'-P energy: -70.065
bonds (distance) P-C4' energy: -41.604
flat angles C4'-P-C4' energy: -47.128
flat angles P-C4'-P energy: -34.615
tors. eta vs tors. theta energy: -20.726
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: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1116.278068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.278068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.278068 (E_RNA)
where:
Base-Base interactions energy: -752.764
where: short stacking energy: -343.276
Base-Backbone interact. energy: -0.850
local terms energy: -362.664501
where:
bonds (distance) C4'-P energy: -81.914
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -77.600
flat angles P-C4'-P energy: -45.531
tors. eta vs tors. theta energy: -86.160
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: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1087.329997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.329997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.329997 (E_RNA)
where:
Base-Base interactions energy: -720.399
where: short stacking energy: -362.316
Base-Backbone interact. energy: 0.407
local terms energy: -367.338393
where:
bonds (distance) C4'-P energy: -70.220
bonds (distance) P-C4' energy: -77.875
flat angles C4'-P-C4' energy: -80.003
flat angles P-C4'-P energy: -48.575
tors. eta vs tors. theta energy: -90.664
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: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -941.793525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.793525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.793525 (E_RNA)
where:
Base-Base interactions energy: -622.455
where: short stacking energy: -281.370
Base-Backbone interact. energy: -2.574
local terms energy: -316.764651
where:
bonds (distance) C4'-P energy: -78.105
bonds (distance) P-C4' energy: -68.147
flat angles C4'-P-C4' energy: -80.808
flat angles P-C4'-P energy: -34.112
tors. eta vs tors. theta energy: -55.592
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: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -906.616279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.616279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.616279 (E_RNA)
where:
Base-Base interactions energy: -578.491
where: short stacking energy: -289.379
Base-Backbone interact. energy: -0.583
local terms energy: -327.542319
where:
bonds (distance) C4'-P energy: -75.569
bonds (distance) P-C4' energy: -71.705
flat angles C4'-P-C4' energy: -57.219
flat angles P-C4'-P energy: -50.089
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: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -862.784763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.784763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.784763 (E_RNA)
where:
Base-Base interactions energy: -547.416
where: short stacking energy: -259.319
Base-Backbone interact. energy: -0.684
local terms energy: -314.685155
where:
bonds (distance) C4'-P energy: -58.975
bonds (distance) P-C4' energy: -80.391
flat angles C4'-P-C4' energy: -67.804
flat angles P-C4'-P energy: -41.209
tors. eta vs tors. theta energy: -66.306
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: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -735.495242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.495242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.495242 (E_RNA)
where:
Base-Base interactions energy: -470.165
where: short stacking energy: -213.387
Base-Backbone interact. energy: -2.333
local terms energy: -262.997400
where:
bonds (distance) C4'-P energy: -64.622
bonds (distance) P-C4' energy: -69.827
flat angles C4'-P-C4' energy: -61.236
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -40.409
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: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -734.689398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.689398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.689398 (E_RNA)
where:
Base-Base interactions energy: -457.057
where: short stacking energy: -219.569
Base-Backbone interact. energy: 2.204
local terms energy: -279.836991
where:
bonds (distance) C4'-P energy: -73.578
bonds (distance) P-C4' energy: -63.382
flat angles C4'-P-C4' energy: -61.673
flat angles P-C4'-P energy: -43.925
tors. eta vs tors. theta energy: -37.279
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: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -540.861674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.861674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.861674 (E_RNA)
where:
Base-Base interactions energy: -293.301
where: short stacking energy: -151.100
Base-Backbone interact. energy: -0.966
local terms energy: -246.594258
where:
bonds (distance) C4'-P energy: -67.759
bonds (distance) P-C4' energy: -48.243
flat angles C4'-P-C4' energy: -59.717
flat angles P-C4'-P energy: -39.737
tors. eta vs tors. theta energy: -31.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -493.526490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.526490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.526490 (E_RNA)
where:
Base-Base interactions energy: -285.551
where: short stacking energy: -146.796
Base-Backbone interact. energy: -1.240
local terms energy: -206.735400
where:
bonds (distance) C4'-P energy: -50.239
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -54.596
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -9.110
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: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -464.815953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.815953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.815953 (E_RNA)
where:
Base-Base interactions energy: -237.587
where: short stacking energy: -126.448
Base-Backbone interact. energy: 0.835
local terms energy: -228.064239
where:
bonds (distance) C4'-P energy: -72.958
bonds (distance) P-C4' energy: -63.590
flat angles C4'-P-C4' energy: -52.372
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1109.872792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.872792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.872792 (E_RNA)
where:
Base-Base interactions energy: -762.755
where: short stacking energy: -324.279
Base-Backbone interact. energy: 1.705
local terms energy: -348.823593
where:
bonds (distance) C4'-P energy: -74.727
bonds (distance) P-C4' energy: -74.432
flat angles C4'-P-C4' energy: -81.718
flat angles P-C4'-P energy: -40.967
tors. eta vs tors. theta energy: -76.980
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: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1085.261132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.261132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.261132 (E_RNA)
where:
Base-Base interactions energy: -727.880
where: short stacking energy: -346.718
Base-Backbone interact. energy: 1.132
local terms energy: -358.512284
where:
bonds (distance) C4'-P energy: -71.654
bonds (distance) P-C4' energy: -73.520
flat angles C4'-P-C4' energy: -74.234
flat angles P-C4'-P energy: -53.722
tors. eta vs tors. theta energy: -85.382
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: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -922.200708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.200708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.200708 (E_RNA)
where:
Base-Base interactions energy: -614.560
where: short stacking energy: -266.278
Base-Backbone interact. energy: 0.434
local terms energy: -308.074426
where:
bonds (distance) C4'-P energy: -79.508
bonds (distance) P-C4' energy: -68.426
flat angles C4'-P-C4' energy: -59.043
flat angles P-C4'-P energy: -47.621
tors. eta vs tors. theta energy: -53.477
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: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -917.401804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.401804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.401804 (E_RNA)
where:
Base-Base interactions energy: -605.946
where: short stacking energy: -271.594
Base-Backbone interact. energy: -2.872
local terms energy: -308.584244
where:
bonds (distance) C4'-P energy: -74.486
bonds (distance) P-C4' energy: -71.913
flat angles C4'-P-C4' energy: -61.250
flat angles P-C4'-P energy: -33.111
tors. eta vs tors. theta energy: -67.825
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: 13
Temperature: 1.100000
Total energy: -856.804167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.804167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.804167 (E_RNA)
where:
Base-Base interactions energy: -523.265
where: short stacking energy: -288.531
Base-Backbone interact. energy: 1.037
local terms energy: -334.576084
where:
bonds (distance) C4'-P energy: -67.745
bonds (distance) P-C4' energy: -72.486
flat angles C4'-P-C4' energy: -74.267
flat angles P-C4'-P energy: -45.860
tors. eta vs tors. theta energy: -74.219
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: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -830.896350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.896350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.896350 (E_RNA)
where:
Base-Base interactions energy: -515.673
where: short stacking energy: -231.767
Base-Backbone interact. energy: -0.443
local terms energy: -314.780662
where:
bonds (distance) C4'-P energy: -72.183
bonds (distance) P-C4' energy: -70.313
flat angles C4'-P-C4' energy: -77.929
flat angles P-C4'-P energy: -39.679
tors. eta vs tors. theta energy: -54.677
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: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -612.645024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.645024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.645024 (E_RNA)
where:
Base-Base interactions energy: -361.833
where: short stacking energy: -192.097
Base-Backbone interact. energy: 1.203
local terms energy: -252.014930
where:
bonds (distance) C4'-P energy: -42.025
bonds (distance) P-C4' energy: -65.644
flat angles C4'-P-C4' energy: -64.328
flat angles P-C4'-P energy: -36.615
tors. eta vs tors. theta energy: -43.404
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: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -552.427628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.427628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.427628 (E_RNA)
where:
Base-Base interactions energy: -310.525
where: short stacking energy: -159.138
Base-Backbone interact. energy: -1.279
local terms energy: -240.623716
where:
bonds (distance) C4'-P energy: -65.528
bonds (distance) P-C4' energy: -59.065
flat angles C4'-P-C4' energy: -53.934
flat angles P-C4'-P energy: -31.069
tors. eta vs tors. theta energy: -31.027
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: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -482.689498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.689498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.689498 (E_RNA)
where:
Base-Base interactions energy: -254.414
where: short stacking energy: -147.913
Base-Backbone interact. energy: -1.560
local terms energy: -226.716054
where:
bonds (distance) C4'-P energy: -53.547
bonds (distance) P-C4' energy: -80.877
flat angles C4'-P-C4' energy: -53.745
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -11.300
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -485.887259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.887259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.887259 (E_RNA)
where:
Base-Base interactions energy: -255.375
where: short stacking energy: -141.028
Base-Backbone interact. energy: -2.328
local terms energy: -228.183863
where:
bonds (distance) C4'-P energy: -55.886
bonds (distance) P-C4' energy: -44.331
flat angles C4'-P-C4' energy: -65.210
flat angles P-C4'-P energy: -36.067
tors. eta vs tors. theta energy: -26.690
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1135.110734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.110734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.110734 (E_RNA)
where:
Base-Base interactions energy: -768.582
where: short stacking energy: -331.029
Base-Backbone interact. energy: -2.369
local terms energy: -364.159750
where:
bonds (distance) C4'-P energy: -68.346
bonds (distance) P-C4' energy: -74.325
flat angles C4'-P-C4' energy: -83.545
flat angles P-C4'-P energy: -48.732
tors. eta vs tors. theta energy: -89.211
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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1100.466396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.466396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.466396 (E_RNA)
where:
Base-Base interactions energy: -735.357
where: short stacking energy: -343.313
Base-Backbone interact. energy: -1.524
local terms energy: -363.585668
where:
bonds (distance) C4'-P energy: -65.471
bonds (distance) P-C4' energy: -80.482
flat angles C4'-P-C4' energy: -80.470
flat angles P-C4'-P energy: -56.352
tors. eta vs tors. theta energy: -80.809
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: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1021.606512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.606512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.606512 (E_RNA)
where:
Base-Base interactions energy: -657.257
where: short stacking energy: -315.465
Base-Backbone interact. energy: -2.035
local terms energy: -362.314315
where:
bonds (distance) C4'-P energy: -77.599
bonds (distance) P-C4' energy: -77.885
flat angles C4'-P-C4' energy: -73.001
flat angles P-C4'-P energy: -48.568
tors. eta vs tors. theta energy: -85.262
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: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -936.187208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.187208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.187208 (E_RNA)
where:
Base-Base interactions energy: -648.699
where: short stacking energy: -289.185
Base-Backbone interact. energy: -2.282
local terms energy: -285.205679
where:
bonds (distance) C4'-P energy: -65.644
bonds (distance) P-C4' energy: -61.571
flat angles C4'-P-C4' energy: -64.405
flat angles P-C4'-P energy: -31.529
tors. eta vs tors. theta energy: -62.057
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: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -895.610460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.610460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.610460 (E_RNA)
where:
Base-Base interactions energy: -597.934
where: short stacking energy: -264.366
Base-Backbone interact. energy: 1.366
local terms energy: -299.042647
where:
bonds (distance) C4'-P energy: -64.040
bonds (distance) P-C4' energy: -57.463
flat angles C4'-P-C4' energy: -71.577
flat angles P-C4'-P energy: -48.073
tors. eta vs tors. theta energy: -57.890
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: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -791.492483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.492483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.492483 (E_RNA)
where:
Base-Base interactions energy: -492.304
where: short stacking energy: -259.992
Base-Backbone interact. energy: -1.685
local terms energy: -297.503319
where:
bonds (distance) C4'-P energy: -68.169
bonds (distance) P-C4' energy: -61.034
flat angles C4'-P-C4' energy: -69.578
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -60.063
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: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -645.081320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.081320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.081320 (E_RNA)
where:
Base-Base interactions energy: -399.440
where: short stacking energy: -203.504
Base-Backbone interact. energy: 1.413
local terms energy: -247.053997
where:
bonds (distance) C4'-P energy: -53.081
bonds (distance) P-C4' energy: -69.340
flat angles C4'-P-C4' energy: -63.113
flat angles P-C4'-P energy: -34.221
tors. eta vs tors. theta energy: -27.299
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: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -609.512191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.512191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.512191 (E_RNA)
where:
Base-Base interactions energy: -355.823
where: short stacking energy: -158.132
Base-Backbone interact. energy: -2.251
local terms energy: -251.438308
where:
bonds (distance) C4'-P energy: -63.771
bonds (distance) P-C4' energy: -67.516
flat angles C4'-P-C4' energy: -69.245
flat angles P-C4'-P energy: -39.071
tors. eta vs tors. theta energy: -11.835
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: 14
Temperature: 1.300000
Total energy: -519.652016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.652016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.652016 (E_RNA)
where:
Base-Base interactions energy: -288.969
where: short stacking energy: -163.934
Base-Backbone interact. energy: -1.025
local terms energy: -229.657714
where:
bonds (distance) C4'-P energy: -65.591
bonds (distance) P-C4' energy: -54.941
flat angles C4'-P-C4' energy: -50.827
flat angles P-C4'-P energy: -37.808
tors. eta vs tors. theta energy: -20.491
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: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -396.127939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.127939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.127939 (E_RNA)
where:
Base-Base interactions energy: -200.884
where: short stacking energy: -114.917
Base-Backbone interact. energy: 4.126
local terms energy: -199.370381
where:
bonds (distance) C4'-P energy: -58.049
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -58.487
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -5.376
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: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1139.358240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.358240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.358240 (E_RNA)
where:
Base-Base interactions energy: -777.017
where: short stacking energy: -353.063
Base-Backbone interact. energy: -2.221
local terms energy: -360.120404
where:
bonds (distance) C4'-P energy: -73.763
bonds (distance) P-C4' energy: -77.085
flat angles C4'-P-C4' energy: -76.551
flat angles P-C4'-P energy: -39.201
tors. eta vs tors. theta energy: -93.520
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: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1095.396940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.396940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.396940 (E_RNA)
where:
Base-Base interactions energy: -731.897
where: short stacking energy: -321.831
Base-Backbone interact. energy: -2.138
local terms energy: -361.361677
where:
bonds (distance) C4'-P energy: -79.861
bonds (distance) P-C4' energy: -75.455
flat angles C4'-P-C4' energy: -82.883
flat angles P-C4'-P energy: -48.493
tors. eta vs tors. theta energy: -74.670
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: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1006.113794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.113794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.113794 (E_RNA)
where:
Base-Base interactions energy: -657.769
where: short stacking energy: -303.477
Base-Backbone interact. energy: -1.685
local terms energy: -346.659625
where:
bonds (distance) C4'-P energy: -61.234
bonds (distance) P-C4' energy: -72.258
flat angles C4'-P-C4' energy: -78.783
flat angles P-C4'-P energy: -61.419
tors. eta vs tors. theta energy: -72.967
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: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -960.984515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.984515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.984515 (E_RNA)
where:
Base-Base interactions energy: -636.720
where: short stacking energy: -293.744
Base-Backbone interact. energy: -3.498
local terms energy: -320.766106
where:
bonds (distance) C4'-P energy: -64.410
bonds (distance) P-C4' energy: -66.127
flat angles C4'-P-C4' energy: -79.958
flat angles P-C4'-P energy: -47.598
tors. eta vs tors. theta energy: -62.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -922.505317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.505317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.505317 (E_RNA)
where:
Base-Base interactions energy: -606.314
where: short stacking energy: -290.723
Base-Backbone interact. energy: 2.303
local terms energy: -318.493967
where:
bonds (distance) C4'-P energy: -69.216
bonds (distance) P-C4' energy: -68.018
flat angles C4'-P-C4' energy: -73.350
flat angles P-C4'-P energy: -41.231
tors. eta vs tors. theta energy: -66.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -725.812428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.812428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.812428 (E_RNA)
where:
Base-Base interactions energy: -430.441
where: short stacking energy: -213.708
Base-Backbone interact. energy: -4.202
local terms energy: -291.169543
where:
bonds (distance) C4'-P energy: -60.493
bonds (distance) P-C4' energy: -66.122
flat angles C4'-P-C4' energy: -64.947
flat angles P-C4'-P energy: -47.562
tors. eta vs tors. theta energy: -52.046
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: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -709.132307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.132307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.132307 (E_RNA)
where:
Base-Base interactions energy: -405.876
where: short stacking energy: -223.243
Base-Backbone interact. energy: -0.433
local terms energy: -302.822764
where:
bonds (distance) C4'-P energy: -59.402
bonds (distance) P-C4' energy: -64.103
flat angles C4'-P-C4' energy: -75.824
flat angles P-C4'-P energy: -50.737
tors. eta vs tors. theta energy: -52.757
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: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -575.879825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.879825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.879825 (E_RNA)
where:
Base-Base interactions energy: -330.526
where: short stacking energy: -171.199
Base-Backbone interact. energy: -2.884
local terms energy: -242.469170
where:
bonds (distance) C4'-P energy: -57.318
bonds (distance) P-C4' energy: -67.843
flat angles C4'-P-C4' energy: -68.328
flat angles P-C4'-P energy: -30.676
tors. eta vs tors. theta energy: -18.305
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: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -497.320161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.320161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.320161 (E_RNA)
where:
Base-Base interactions energy: -289.913
where: short stacking energy: -157.822
Base-Backbone interact. energy: -1.837
local terms energy: -205.570032
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -60.945
flat angles C4'-P-C4' energy: -53.584
flat angles P-C4'-P energy: -27.715
tors. eta vs tors. theta energy: -14.074
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: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -336.408751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.408751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.408751 (E_RNA)
where:
Base-Base interactions energy: -150.994
where: short stacking energy: -104.211
Base-Backbone interact. energy: 1.692
local terms energy: -187.105996
where:
bonds (distance) C4'-P energy: -62.903
bonds (distance) P-C4' energy: -56.069
flat angles C4'-P-C4' energy: -52.522
flat angles P-C4'-P energy: -25.679
tors. eta vs tors. theta energy: 10.067
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: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1138.625327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.625327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.625327 (E_RNA)
where:
Base-Base interactions energy: -772.483
where: short stacking energy: -370.907
Base-Backbone interact. energy: -1.623
local terms energy: -364.518907
where:
bonds (distance) C4'-P energy: -81.463
bonds (distance) P-C4' energy: -59.090
flat angles C4'-P-C4' energy: -80.203
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: -92.715
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: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1115.021446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.021446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.021446 (E_RNA)
where:
Base-Base interactions energy: -752.299
where: short stacking energy: -341.657
Base-Backbone interact. energy: -1.302
local terms energy: -361.420359
where:
bonds (distance) C4'-P energy: -69.801
bonds (distance) P-C4' energy: -73.057
flat angles C4'-P-C4' energy: -87.839
flat angles P-C4'-P energy: -52.704
tors. eta vs tors. theta energy: -78.020
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1057.898078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.898078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.898078 (E_RNA)
where:
Base-Base interactions energy: -712.863
where: short stacking energy: -344.670
Base-Backbone interact. energy: -3.069
local terms energy: -341.965292
where:
bonds (distance) C4'-P energy: -72.866
bonds (distance) P-C4' energy: -66.331
flat angles C4'-P-C4' energy: -66.969
flat angles P-C4'-P energy: -47.189
tors. eta vs tors. theta energy: -88.610
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: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -939.723283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.723283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.723283 (E_RNA)
where:
Base-Base interactions energy: -632.420
where: short stacking energy: -272.772
Base-Backbone interact. energy: -1.308
local terms energy: -305.995640
where:
bonds (distance) C4'-P energy: -55.558
bonds (distance) P-C4' energy: -71.048
flat angles C4'-P-C4' energy: -67.569
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -68.863
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: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -914.783847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.783847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.783847 (E_RNA)
where:
Base-Base interactions energy: -591.619
where: short stacking energy: -276.156
Base-Backbone interact. energy: -3.427
local terms energy: -319.738044
where:
bonds (distance) C4'-P energy: -65.910
bonds (distance) P-C4' energy: -68.444
flat angles C4'-P-C4' energy: -81.600
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -55.982
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: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -768.970316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.970316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.970316 (E_RNA)
where:
Base-Base interactions energy: -497.845
where: short stacking energy: -211.178
Base-Backbone interact. energy: -1.454
local terms energy: -269.670561
where:
bonds (distance) C4'-P energy: -62.029
bonds (distance) P-C4' energy: -67.005
flat angles C4'-P-C4' energy: -67.132
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -30.882
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: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -733.266970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.266970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.266970 (E_RNA)
where:
Base-Base interactions energy: -468.953
where: short stacking energy: -240.310
Base-Backbone interact. energy: 2.924
local terms energy: -267.237729
where:
bonds (distance) C4'-P energy: -62.549
bonds (distance) P-C4' energy: -56.509
flat angles C4'-P-C4' energy: -66.997
flat angles P-C4'-P energy: -46.246
tors. eta vs tors. theta energy: -34.936
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: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -606.701914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.701914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.701914 (E_RNA)
where:
Base-Base interactions energy: -349.674
where: short stacking energy: -182.984
Base-Backbone interact. energy: 4.506
local terms energy: -261.533480
where:
bonds (distance) C4'-P energy: -66.784
bonds (distance) P-C4' energy: -58.794
flat angles C4'-P-C4' energy: -57.949
flat angles P-C4'-P energy: -47.777
tors. eta vs tors. theta energy: -30.230
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -509.096840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.096840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.096840 (E_RNA)
where:
Base-Base interactions energy: -282.375
where: short stacking energy: -139.639
Base-Backbone interact. energy: -2.417
local terms energy: -224.305436
where:
bonds (distance) C4'-P energy: -57.878
bonds (distance) P-C4' energy: -65.745
flat angles C4'-P-C4' energy: -51.124
flat angles P-C4'-P energy: -37.172
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: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -317.383205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.383205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.383205 (E_RNA)
where:
Base-Base interactions energy: -108.575
where: short stacking energy: -100.093
Base-Backbone interact. energy: -0.106
local terms energy: -208.702233
where:
bonds (distance) C4'-P energy: -57.265
bonds (distance) P-C4' energy: -70.594
flat angles C4'-P-C4' energy: -39.726
flat angles P-C4'-P energy: -45.834
tors. eta vs tors. theta energy: 4.717
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: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1121.843088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.843088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.843088 (E_RNA)
where:
Base-Base interactions energy: -746.433
where: short stacking energy: -335.028
Base-Backbone interact. energy: -0.349
local terms energy: -375.060995
where:
bonds (distance) C4'-P energy: -70.875
bonds (distance) P-C4' energy: -78.497
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -55.127
tors. eta vs tors. theta energy: -86.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1114.885033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.885033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.885033 (E_RNA)
where:
Base-Base interactions energy: -742.220
where: short stacking energy: -336.307
Base-Backbone interact. energy: -0.389
local terms energy: -372.276627
where:
bonds (distance) C4'-P energy: -70.803
bonds (distance) P-C4' energy: -79.237
flat angles C4'-P-C4' energy: -87.201
flat angles P-C4'-P energy: -59.017
tors. eta vs tors. theta energy: -76.020
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1066.986038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.986038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.986038 (E_RNA)
where:
Base-Base interactions energy: -702.811
where: short stacking energy: -320.883
Base-Backbone interact. energy: -2.566
local terms energy: -361.609150
where:
bonds (distance) C4'-P energy: -69.554
bonds (distance) P-C4' energy: -72.464
flat angles C4'-P-C4' energy: -71.069
flat angles P-C4'-P energy: -53.379
tors. eta vs tors. theta energy: -95.144
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: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1010.849716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.849716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.849716 (E_RNA)
where:
Base-Base interactions energy: -665.328
where: short stacking energy: -305.064
Base-Backbone interact. energy: -1.330
local terms energy: -344.192024
where:
bonds (distance) C4'-P energy: -66.984
bonds (distance) P-C4' energy: -71.233
flat angles C4'-P-C4' energy: -77.093
flat angles P-C4'-P energy: -48.680
tors. eta vs tors. theta energy: -80.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -925.504339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.504339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.504339 (E_RNA)
where:
Base-Base interactions energy: -622.843
where: short stacking energy: -275.670
Base-Backbone interact. energy: 0.052
local terms energy: -302.713621
where:
bonds (distance) C4'-P energy: -65.012
bonds (distance) P-C4' energy: -61.300
flat angles C4'-P-C4' energy: -70.064
flat angles P-C4'-P energy: -41.698
tors. eta vs tors. theta energy: -64.639
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: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -795.731010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.731010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.731010 (E_RNA)
where:
Base-Base interactions energy: -520.877
where: short stacking energy: -238.028
Base-Backbone interact. energy: -0.003
local terms energy: -274.851741
where:
bonds (distance) C4'-P energy: -59.521
bonds (distance) P-C4' energy: -61.471
flat angles C4'-P-C4' energy: -68.661
flat angles P-C4'-P energy: -32.337
tors. eta vs tors. theta energy: -52.861
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: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -741.422808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.422808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.422808 (E_RNA)
where:
Base-Base interactions energy: -464.815
where: short stacking energy: -222.942
Base-Backbone interact. energy: 1.795
local terms energy: -278.403283
where:
bonds (distance) C4'-P energy: -58.821
bonds (distance) P-C4' energy: -69.693
flat angles C4'-P-C4' energy: -61.442
flat angles P-C4'-P energy: -41.006
tors. eta vs tors. theta energy: -47.442
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: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -609.892533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.892533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.892533 (E_RNA)
where:
Base-Base interactions energy: -351.805
where: short stacking energy: -187.189
Base-Backbone interact. energy: 0.399
local terms energy: -258.486927
where:
bonds (distance) C4'-P energy: -77.156
bonds (distance) P-C4' energy: -59.919
flat angles C4'-P-C4' energy: -52.739
flat angles P-C4'-P energy: -43.823
tors. eta vs tors. theta energy: -24.851
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -516.766036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.766036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.766036 (E_RNA)
where:
Base-Base interactions energy: -280.447
where: short stacking energy: -150.893
Base-Backbone interact. energy: 1.577
local terms energy: -237.895182
where:
bonds (distance) C4'-P energy: -54.976
bonds (distance) P-C4' energy: -71.418
flat angles C4'-P-C4' energy: -62.811
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -17.785
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: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -317.444305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.444305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.444305 (E_RNA)
where:
Base-Base interactions energy: -135.417
where: short stacking energy: -86.513
Base-Backbone interact. energy: -0.415
local terms energy: -181.612671
where:
bonds (distance) C4'-P energy: -59.192
bonds (distance) P-C4' energy: -54.708
flat angles C4'-P-C4' energy: -51.837
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: 13.518
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: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1143.998138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.998138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.998138 (E_RNA)
where:
Base-Base interactions energy: -777.477
where: short stacking energy: -348.437
Base-Backbone interact. energy: -2.136
local terms energy: -364.385098
where:
bonds (distance) C4'-P energy: -74.684
bonds (distance) P-C4' energy: -75.982
flat angles C4'-P-C4' energy: -80.966
flat angles P-C4'-P energy: -51.374
tors. eta vs tors. theta energy: -81.379
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: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1112.357860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.357860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.357860 (E_RNA)
where:
Base-Base interactions energy: -746.472
where: short stacking energy: -331.209
Base-Backbone interact. energy: 0.606
local terms energy: -366.491069
where:
bonds (distance) C4'-P energy: -79.674
bonds (distance) P-C4' energy: -74.714
flat angles C4'-P-C4' energy: -72.998
flat angles P-C4'-P energy: -55.298
tors. eta vs tors. theta energy: -83.808
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: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1051.925553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.925553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.925553 (E_RNA)
where:
Base-Base interactions energy: -699.971
where: short stacking energy: -327.858
Base-Backbone interact. energy: -0.464
local terms energy: -351.490151
where:
bonds (distance) C4'-P energy: -74.677
bonds (distance) P-C4' energy: -71.996
flat angles C4'-P-C4' energy: -69.822
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -96.967
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: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1052.156825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.156825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.156825 (E_RNA)
where:
Base-Base interactions energy: -706.217
where: short stacking energy: -326.503
Base-Backbone interact. energy: -1.414
local terms energy: -344.525652
where:
bonds (distance) C4'-P energy: -71.227
bonds (distance) P-C4' energy: -60.545
flat angles C4'-P-C4' energy: -73.133
flat angles P-C4'-P energy: -54.247
tors. eta vs tors. theta energy: -85.374
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: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -873.969753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.969753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.969753 (E_RNA)
where:
Base-Base interactions energy: -558.965
where: short stacking energy: -244.688
Base-Backbone interact. energy: 0.963
local terms energy: -315.968049
where:
bonds (distance) C4'-P energy: -79.429
bonds (distance) P-C4' energy: -68.838
flat angles C4'-P-C4' energy: -66.762
flat angles P-C4'-P energy: -40.206
tors. eta vs tors. theta energy: -60.734
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: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -834.281685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.281685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.281685 (E_RNA)
where:
Base-Base interactions energy: -537.221
where: short stacking energy: -245.509
Base-Backbone interact. energy: -1.251
local terms energy: -295.810216
where:
bonds (distance) C4'-P energy: -65.165
bonds (distance) P-C4' energy: -69.659
flat angles C4'-P-C4' energy: -67.823
flat angles P-C4'-P energy: -43.207
tors. eta vs tors. theta energy: -49.957
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: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -757.456085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.456085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.456085 (E_RNA)
where:
Base-Base interactions energy: -476.778
where: short stacking energy: -224.212
Base-Backbone interact. energy: -0.638
local terms energy: -280.040298
where:
bonds (distance) C4'-P energy: -66.216
bonds (distance) P-C4' energy: -60.703
flat angles C4'-P-C4' energy: -69.935
flat angles P-C4'-P energy: -44.752
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: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -544.136281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.136281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.136281 (E_RNA)
where:
Base-Base interactions energy: -303.598
where: short stacking energy: -150.814
Base-Backbone interact. energy: -1.833
local terms energy: -238.705235
where:
bonds (distance) C4'-P energy: -59.879
bonds (distance) P-C4' energy: -65.534
flat angles C4'-P-C4' energy: -59.272
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -15.619
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: 18
Temperature: 1.300000
Total energy: -507.671540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.671540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.671540 (E_RNA)
where:
Base-Base interactions energy: -286.389
where: short stacking energy: -153.590
Base-Backbone interact. energy: -0.663
local terms energy: -220.619741
where:
bonds (distance) C4'-P energy: -47.034
bonds (distance) P-C4' energy: -64.929
flat angles C4'-P-C4' energy: -54.396
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -323.418070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.418070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.418070 (E_RNA)
where:
Base-Base interactions energy: -132.758
where: short stacking energy: -119.357
Base-Backbone interact. energy: -1.335
local terms energy: -189.325126
where:
bonds (distance) C4'-P energy: -52.590
bonds (distance) P-C4' energy: -55.586
flat angles C4'-P-C4' energy: -56.433
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -2.662
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: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1140.099806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.099806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.099806 (E_RNA)
where:
Base-Base interactions energy: -774.000
where: short stacking energy: -342.608
Base-Backbone interact. energy: -1.976
local terms energy: -364.123183
where:
bonds (distance) C4'-P energy: -78.025
bonds (distance) P-C4' energy: -77.747
flat angles C4'-P-C4' energy: -78.072
flat angles P-C4'-P energy: -42.819
tors. eta vs tors. theta energy: -87.460
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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1140.220253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.220253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.220253 (E_RNA)
where:
Base-Base interactions energy: -783.549
where: short stacking energy: -345.126
Base-Backbone interact. energy: -3.232
local terms energy: -353.439589
where:
bonds (distance) C4'-P energy: -74.036
bonds (distance) P-C4' energy: -71.373
flat angles C4'-P-C4' energy: -71.507
flat angles P-C4'-P energy: -53.518
tors. eta vs tors. theta energy: -83.004
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: 10
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1047.141548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.141548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.141548 (E_RNA)
where:
Base-Base interactions energy: -701.231
where: short stacking energy: -319.038
Base-Backbone interact. energy: -1.188
local terms energy: -344.722449
where:
bonds (distance) C4'-P energy: -64.012
bonds (distance) P-C4' energy: -71.856
flat angles C4'-P-C4' energy: -79.081
flat angles P-C4'-P energy: -49.670
tors. eta vs tors. theta energy: -80.103
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: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1015.455955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.455955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.455955 (E_RNA)
where:
Base-Base interactions energy: -657.361
where: short stacking energy: -316.051
Base-Backbone interact. energy: -1.959
local terms energy: -356.135951
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -81.682
flat angles C4'-P-C4' energy: -78.745
flat angles P-C4'-P energy: -51.179
tors. eta vs tors. theta energy: -90.491
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: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -922.351231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.351231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.351231 (E_RNA)
where:
Base-Base interactions energy: -603.086
where: short stacking energy: -262.590
Base-Backbone interact. energy: -0.997
local terms energy: -318.268238
where:
bonds (distance) C4'-P energy: -74.234
bonds (distance) P-C4' energy: -75.427
flat angles C4'-P-C4' energy: -75.792
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -64.301
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: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -927.452202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.452202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.452202 (E_RNA)
where:
Base-Base interactions energy: -641.398
where: short stacking energy: -251.683
Base-Backbone interact. energy: -1.703
local terms energy: -284.350736
where:
bonds (distance) C4'-P energy: -55.136
bonds (distance) P-C4' energy: -58.841
flat angles C4'-P-C4' energy: -72.635
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -57.275
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: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -746.354672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.354672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.354672 (E_RNA)
where:
Base-Base interactions energy: -476.684
where: short stacking energy: -214.967
Base-Backbone interact. energy: 0.040
local terms energy: -269.710734
where:
bonds (distance) C4'-P energy: -70.104
bonds (distance) P-C4' energy: -59.790
flat angles C4'-P-C4' energy: -63.539
flat angles P-C4'-P energy: -36.833
tors. eta vs tors. theta energy: -39.445
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: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -526.427568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.427568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.427568 (E_RNA)
where:
Base-Base interactions energy: -291.889
where: short stacking energy: -151.993
Base-Backbone interact. energy: 0.327
local terms energy: -234.866004
where:
bonds (distance) C4'-P energy: -71.766
bonds (distance) P-C4' energy: -60.660
flat angles C4'-P-C4' energy: -72.443
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -5.258
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: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -578.481852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.481852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.481852 (E_RNA)
where:
Base-Base interactions energy: -347.287
where: short stacking energy: -185.616
Base-Backbone interact. energy: -0.384
local terms energy: -230.810924
where:
bonds (distance) C4'-P energy: -53.254
bonds (distance) P-C4' energy: -54.743
flat angles C4'-P-C4' energy: -57.496
flat angles P-C4'-P energy: -36.628
tors. eta vs tors. theta energy: -28.690
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: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -329.282578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.282578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.282578 (E_RNA)
where:
Base-Base interactions energy: -120.367
where: short stacking energy: -101.372
Base-Backbone interact. energy: -1.405
local terms energy: -207.510090
where:
bonds (distance) C4'-P energy: -70.042
bonds (distance) P-C4' energy: -56.081
flat angles C4'-P-C4' energy: -59.214
flat angles P-C4'-P energy: -28.464
tors. eta vs tors. theta energy: 6.291
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: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1201.371349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.371349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.371349 (E_RNA)
where:
Base-Base interactions energy: -828.660
where: short stacking energy: -355.294
Base-Backbone interact. energy: -3.314
local terms energy: -369.397515
where:
bonds (distance) C4'-P energy: -64.662
bonds (distance) P-C4' energy: -70.642
flat angles C4'-P-C4' energy: -84.158
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: -92.390
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: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1094.005086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.005086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.005086 (E_RNA)
where:
Base-Base interactions energy: -756.911
where: short stacking energy: -358.953
Base-Backbone interact. energy: -0.182
local terms energy: -336.912066
where:
bonds (distance) C4'-P energy: -65.818
bonds (distance) P-C4' energy: -76.222
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -88.583
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: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1028.067122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.067122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.067122 (E_RNA)
where:
Base-Base interactions energy: -650.279
where: short stacking energy: -313.886
Base-Backbone interact. energy: -2.825
local terms energy: -374.963447
where:
bonds (distance) C4'-P energy: -78.147
bonds (distance) P-C4' energy: -78.759
flat angles C4'-P-C4' energy: -79.878
flat angles P-C4'-P energy: -49.757
tors. eta vs tors. theta energy: -88.423
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: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -984.932111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.932111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.932111 (E_RNA)
where:
Base-Base interactions energy: -669.053
where: short stacking energy: -301.991
Base-Backbone interact. energy: 0.096
local terms energy: -315.975490
where:
bonds (distance) C4'-P energy: -73.761
bonds (distance) P-C4' energy: -62.165
flat angles C4'-P-C4' energy: -69.757
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -67.178
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: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -970.568966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.568966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.568966 (E_RNA)
where:
Base-Base interactions energy: -644.632
where: short stacking energy: -266.367
Base-Backbone interact. energy: 3.824
local terms energy: -329.761016
where:
bonds (distance) C4'-P energy: -56.959
bonds (distance) P-C4' energy: -74.013
flat angles C4'-P-C4' energy: -81.712
flat angles P-C4'-P energy: -52.357
tors. eta vs tors. theta energy: -64.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -969.149330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.149330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.149330 (E_RNA)
where:
Base-Base interactions energy: -650.458
where: short stacking energy: -282.148
Base-Backbone interact. energy: -0.106
local terms energy: -318.584903
where:
bonds (distance) C4'-P energy: -67.230
bonds (distance) P-C4' energy: -69.574
flat angles C4'-P-C4' energy: -74.556
flat angles P-C4'-P energy: -36.994
tors. eta vs tors. theta energy: -70.230
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: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -754.233965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.233965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.233965 (E_RNA)
where:
Base-Base interactions energy: -468.100
where: short stacking energy: -212.487
Base-Backbone interact. energy: -1.087
local terms energy: -285.047124
where:
bonds (distance) C4'-P energy: -59.117
bonds (distance) P-C4' energy: -67.784
flat angles C4'-P-C4' energy: -74.936
flat angles P-C4'-P energy: -40.581
tors. eta vs tors. theta energy: -42.629
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: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -555.098519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.098519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.098519 (E_RNA)
where:
Base-Base interactions energy: -340.987
where: short stacking energy: -163.689
Base-Backbone interact. energy: 2.695
local terms energy: -216.806287
where:
bonds (distance) C4'-P energy: -45.421
bonds (distance) P-C4' energy: -60.148
flat angles C4'-P-C4' energy: -68.089
flat angles P-C4'-P energy: -30.282
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: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -587.974367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.974367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.974367 (E_RNA)
where:
Base-Base interactions energy: -347.251
where: short stacking energy: -157.545
Base-Backbone interact. energy: -1.559
local terms energy: -239.163728
where:
bonds (distance) C4'-P energy: -64.505
bonds (distance) P-C4' energy: -60.324
flat angles C4'-P-C4' energy: -63.228
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -6.735
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: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -356.519863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.519863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.519863 (E_RNA)
where:
Base-Base interactions energy: -147.467
where: short stacking energy: -115.112
Base-Backbone interact. energy: -0.345
local terms energy: -208.708352
where:
bonds (distance) C4'-P energy: -54.271
bonds (distance) P-C4' energy: -62.818
flat angles C4'-P-C4' energy: -55.087
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -14.231
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: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1209.944550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.944550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.944550 (E_RNA)
where:
Base-Base interactions energy: -849.154
where: short stacking energy: -377.746
Base-Backbone interact. energy: -1.074
local terms energy: -359.717100
where:
bonds (distance) C4'-P energy: -59.999
bonds (distance) P-C4' energy: -77.026
flat angles C4'-P-C4' energy: -82.492
flat angles P-C4'-P energy: -48.521
tors. eta vs tors. theta energy: -91.679
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: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1105.542681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.542681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.542681 (E_RNA)
where:
Base-Base interactions energy: -767.171
where: short stacking energy: -332.537
Base-Backbone interact. energy: -2.272
local terms energy: -336.099633
where:
bonds (distance) C4'-P energy: -72.765
bonds (distance) P-C4' energy: -71.773
flat angles C4'-P-C4' energy: -71.067
flat angles P-C4'-P energy: -43.214
tors. eta vs tors. theta energy: -77.281
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: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1029.773386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.773386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.773386 (E_RNA)
where:
Base-Base interactions energy: -659.455
where: short stacking energy: -321.911
Base-Backbone interact. energy: -2.003
local terms energy: -368.315651
where:
bonds (distance) C4'-P energy: -66.941
bonds (distance) P-C4' energy: -78.562
flat angles C4'-P-C4' energy: -73.369
flat angles P-C4'-P energy: -55.185
tors. eta vs tors. theta energy: -94.259
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: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1009.287295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.287295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.287295 (E_RNA)
where:
Base-Base interactions energy: -703.774
where: short stacking energy: -309.607
Base-Backbone interact. energy: 2.261
local terms energy: -307.774701
where:
bonds (distance) C4'-P energy: -59.999
bonds (distance) P-C4' energy: -73.215
flat angles C4'-P-C4' energy: -62.431
flat angles P-C4'-P energy: -44.644
tors. eta vs tors. theta energy: -67.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -986.213224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.213224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.213224 (E_RNA)
where:
Base-Base interactions energy: -644.446
where: short stacking energy: -283.067
Base-Backbone interact. energy: -0.208
local terms energy: -341.558667
where:
bonds (distance) C4'-P energy: -67.920
bonds (distance) P-C4' energy: -67.012
flat angles C4'-P-C4' energy: -79.924
flat angles P-C4'-P energy: -54.651
tors. eta vs tors. theta energy: -72.051
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: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -937.072219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.072219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.072219 (E_RNA)
where:
Base-Base interactions energy: -638.825
where: short stacking energy: -281.832
Base-Backbone interact. energy: -0.983
local terms energy: -297.263697
where:
bonds (distance) C4'-P energy: -77.430
bonds (distance) P-C4' energy: -61.913
flat angles C4'-P-C4' energy: -49.547
flat angles P-C4'-P energy: -41.903
tors. eta vs tors. theta energy: -66.471
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: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -759.563200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.563200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.563200 (E_RNA)
where:
Base-Base interactions energy: -491.482
where: short stacking energy: -205.272
Base-Backbone interact. energy: 0.776
local terms energy: -268.856758
where:
bonds (distance) C4'-P energy: -53.193
bonds (distance) P-C4' energy: -62.876
flat angles C4'-P-C4' energy: -63.835
flat angles P-C4'-P energy: -45.484
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: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -634.974894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.974894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.974894 (E_RNA)
where:
Base-Base interactions energy: -391.721
where: short stacking energy: -201.794
Base-Backbone interact. energy: -0.730
local terms energy: -242.524110
where:
bonds (distance) C4'-P energy: -59.218
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -44.087
tors. eta vs tors. theta energy: -32.471
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: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -497.031945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.031945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.031945 (E_RNA)
where:
Base-Base interactions energy: -274.387
where: short stacking energy: -134.323
Base-Backbone interact. energy: 0.103
local terms energy: -222.748016
where:
bonds (distance) C4'-P energy: -68.701
bonds (distance) P-C4' energy: -68.533
flat angles C4'-P-C4' energy: -51.660
flat angles P-C4'-P energy: -36.463
tors. eta vs tors. theta energy: 2.609
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: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -445.066999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.066999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.066999 (E_RNA)
where:
Base-Base interactions energy: -217.209
where: short stacking energy: -131.323
Base-Backbone interact. energy: -0.522
local terms energy: -227.335537
where:
bonds (distance) C4'-P energy: -59.671
bonds (distance) P-C4' energy: -65.113
flat angles C4'-P-C4' energy: -50.628
flat angles P-C4'-P energy: -36.502
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1219.023110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.023110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.023110 (E_RNA)
where:
Base-Base interactions energy: -841.775
where: short stacking energy: -345.392
Base-Backbone interact. energy: -0.866
local terms energy: -376.382358
where:
bonds (distance) C4'-P energy: -73.339
bonds (distance) P-C4' energy: -73.607
flat angles C4'-P-C4' energy: -84.240
flat angles P-C4'-P energy: -54.433
tors. eta vs tors. theta energy: -90.763
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: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1114.092960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.092960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.092960 (E_RNA)
where:
Base-Base interactions energy: -749.332
where: short stacking energy: -329.586
Base-Backbone interact. energy: -0.056
local terms energy: -364.705114
where:
bonds (distance) C4'-P energy: -74.430
bonds (distance) P-C4' energy: -79.600
flat angles C4'-P-C4' energy: -72.168
flat angles P-C4'-P energy: -47.571
tors. eta vs tors. theta energy: -90.936
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: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1023.394031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.394031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.394031 (E_RNA)
where:
Base-Base interactions energy: -666.089
where: short stacking energy: -288.458
Base-Backbone interact. energy: 0.013
local terms energy: -357.318192
where:
bonds (distance) C4'-P energy: -76.289
bonds (distance) P-C4' energy: -76.397
flat angles C4'-P-C4' energy: -82.163
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -79.154
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: 4, replica: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -999.601037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.601037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.601037 (E_RNA)
where:
Base-Base interactions energy: -686.315
where: short stacking energy: -302.462
Base-Backbone interact. energy: -2.078
local terms energy: -311.207587
where:
bonds (distance) C4'-P energy: -66.368
bonds (distance) P-C4' energy: -64.809
flat angles C4'-P-C4' energy: -66.271
flat angles P-C4'-P energy: -51.032
tors. eta vs tors. theta energy: -62.729
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: 22
Temperature: 1.100000
Total energy: -976.611396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.611396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.611396 (E_RNA)
where:
Base-Base interactions energy: -668.289
where: short stacking energy: -268.163
Base-Backbone interact. energy: -0.487
local terms energy: -307.835117
where:
bonds (distance) C4'-P energy: -77.792
bonds (distance) P-C4' energy: -69.406
flat angles C4'-P-C4' energy: -68.473
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -71.582
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: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -998.506477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.506477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.506477 (E_RNA)
where:
Base-Base interactions energy: -692.650
where: short stacking energy: -306.887
Base-Backbone interact. energy: -1.340
local terms energy: -304.516372
where:
bonds (distance) C4'-P energy: -52.432
bonds (distance) P-C4' energy: -73.667
flat angles C4'-P-C4' energy: -62.708
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: -80.627
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: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -798.372789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.372789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.372789 (E_RNA)
where:
Base-Base interactions energy: -544.863
where: short stacking energy: -256.115
Base-Backbone interact. energy: -0.035
local terms energy: -253.474779
where:
bonds (distance) C4'-P energy: -57.708
bonds (distance) P-C4' energy: -51.498
flat angles C4'-P-C4' energy: -62.832
flat angles P-C4'-P energy: -37.587
tors. eta vs tors. theta energy: -43.849
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: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -657.679663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.679663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.679663 (E_RNA)
where:
Base-Base interactions energy: -408.823
where: short stacking energy: -209.135
Base-Backbone interact. energy: -1.285
local terms energy: -247.572190
where:
bonds (distance) C4'-P energy: -59.415
bonds (distance) P-C4' energy: -51.649
flat angles C4'-P-C4' energy: -61.670
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: -38.484
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: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -535.397738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.397738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.397738 (E_RNA)
where:
Base-Base interactions energy: -296.367
where: short stacking energy: -152.849
Base-Backbone interact. energy: -2.056
local terms energy: -236.974766
where:
bonds (distance) C4'-P energy: -55.024
bonds (distance) P-C4' energy: -67.889
flat angles C4'-P-C4' energy: -68.835
flat angles P-C4'-P energy: -36.837
tors. eta vs tors. theta energy: -8.389
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: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -411.851130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.851130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.851130 (E_RNA)
where:
Base-Base interactions energy: -195.735
where: short stacking energy: -116.155
Base-Backbone interact. energy: 0.199
local terms energy: -216.315777
where:
bonds (distance) C4'-P energy: -52.300
bonds (distance) P-C4' energy: -69.995
flat angles C4'-P-C4' energy: -49.270
flat angles P-C4'-P energy: -37.989
tors. eta vs tors. theta energy: -6.761
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: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1248.243867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.243867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.243867 (E_RNA)
where:
Base-Base interactions energy: -871.546
where: short stacking energy: -358.011
Base-Backbone interact. energy: 0.702
local terms energy: -377.399793
where:
bonds (distance) C4'-P energy: -76.075
bonds (distance) P-C4' energy: -74.592
flat angles C4'-P-C4' energy: -83.907
flat angles P-C4'-P energy: -59.304
tors. eta vs tors. theta energy: -83.521
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: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1127.342472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.342472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.342472 (E_RNA)
where:
Base-Base interactions energy: -790.544
where: short stacking energy: -328.531
Base-Backbone interact. energy: -2.906
local terms energy: -333.892354
where:
bonds (distance) C4'-P energy: -67.924
bonds (distance) P-C4' energy: -69.700
flat angles C4'-P-C4' energy: -79.204
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: -76.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1048.633889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.633889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.633889 (E_RNA)
where:
Base-Base interactions energy: -692.518
where: short stacking energy: -320.428
Base-Backbone interact. energy: -1.475
local terms energy: -354.641475
where:
bonds (distance) C4'-P energy: -74.281
bonds (distance) P-C4' energy: -61.109
flat angles C4'-P-C4' energy: -81.183
flat angles P-C4'-P energy: -46.955
tors. eta vs tors. theta energy: -91.114
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: 4, replica: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1006.299653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.299653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.299653 (E_RNA)
where:
Base-Base interactions energy: -670.621
where: short stacking energy: -297.086
Base-Backbone interact. energy: -0.215
local terms energy: -335.463140
where:
bonds (distance) C4'-P energy: -75.773
bonds (distance) P-C4' energy: -71.165
flat angles C4'-P-C4' energy: -71.094
flat angles P-C4'-P energy: -39.913
tors. eta vs tors. theta energy: -77.518
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: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1014.947174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.947174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.947174 (E_RNA)
where:
Base-Base interactions energy: -715.769
where: short stacking energy: -290.505
Base-Backbone interact. energy: -4.136
local terms energy: -295.042266
where:
bonds (distance) C4'-P energy: -66.944
bonds (distance) P-C4' energy: -64.870
flat angles C4'-P-C4' energy: -64.205
flat angles P-C4'-P energy: -36.935
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: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1063.399500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.399500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.399500 (E_RNA)
where:
Base-Base interactions energy: -749.470
where: short stacking energy: -309.892
Base-Backbone interact. energy: 0.601
local terms energy: -314.530278
where:
bonds (distance) C4'-P energy: -62.363
bonds (distance) P-C4' energy: -67.680
flat angles C4'-P-C4' energy: -60.524
flat angles P-C4'-P energy: -49.766
tors. eta vs tors. theta energy: -74.197
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: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -806.110334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.110334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.110334 (E_RNA)
where:
Base-Base interactions energy: -532.668
where: short stacking energy: -222.372
Base-Backbone interact. energy: -1.858
local terms energy: -271.583526
where:
bonds (distance) C4'-P energy: -72.949
bonds (distance) P-C4' energy: -78.924
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -30.178
tors. eta vs tors. theta energy: -41.808
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: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -639.086181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.086181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.086181 (E_RNA)
where:
Base-Base interactions energy: -382.485
where: short stacking energy: -168.081
Base-Backbone interact. energy: -1.032
local terms energy: -255.569452
where:
bonds (distance) C4'-P energy: -63.408
bonds (distance) P-C4' energy: -73.300
flat angles C4'-P-C4' energy: -55.657
flat angles P-C4'-P energy: -47.045
tors. eta vs tors. theta energy: -16.160
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: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -516.758400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.758400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.758400 (E_RNA)
where:
Base-Base interactions energy: -290.246
where: short stacking energy: -147.123
Base-Backbone interact. energy: -0.995
local terms energy: -225.517229
where:
bonds (distance) C4'-P energy: -64.496
bonds (distance) P-C4' energy: -56.494
flat angles C4'-P-C4' energy: -66.662
flat angles P-C4'-P energy: -25.969
tors. eta vs tors. theta energy: -11.896
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: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -432.057733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.057733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.057733 (E_RNA)
where:
Base-Base interactions energy: -239.263
where: short stacking energy: -138.643
Base-Backbone interact. energy: 1.328
local terms energy: -194.122691
where:
bonds (distance) C4'-P energy: -46.331
bonds (distance) P-C4' energy: -63.556
flat angles C4'-P-C4' energy: -50.366
flat angles P-C4'-P energy: -29.282
tors. eta vs tors. theta energy: -4.588
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: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1225.720749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.720749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.720749 (E_RNA)
where:
Base-Base interactions energy: -864.559
where: short stacking energy: -358.727
Base-Backbone interact. energy: -0.497
local terms energy: -360.664890
where:
bonds (distance) C4'-P energy: -71.449
bonds (distance) P-C4' energy: -72.161
flat angles C4'-P-C4' energy: -71.863
flat angles P-C4'-P energy: -52.232
tors. eta vs tors. theta energy: -92.960
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: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1133.883884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.883884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.883884 (E_RNA)
where:
Base-Base interactions energy: -786.599
where: short stacking energy: -335.804
Base-Backbone interact. energy: -0.960
local terms energy: -346.325605
where:
bonds (distance) C4'-P energy: -75.583
bonds (distance) P-C4' energy: -65.549
flat angles C4'-P-C4' energy: -78.441
flat angles P-C4'-P energy: -45.070
tors. eta vs tors. theta energy: -81.682
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: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1045.758670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.758670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.758670 (E_RNA)
where:
Base-Base interactions energy: -678.365
where: short stacking energy: -306.423
Base-Backbone interact. energy: -0.873
local terms energy: -366.521233
where:
bonds (distance) C4'-P energy: -70.061
bonds (distance) P-C4' energy: -82.155
flat angles C4'-P-C4' energy: -85.319
flat angles P-C4'-P energy: -56.727
tors. eta vs tors. theta energy: -72.259
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: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -985.032340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.032340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.032340 (E_RNA)
where:
Base-Base interactions energy: -649.463
where: short stacking energy: -284.670
Base-Backbone interact. energy: -3.266
local terms energy: -332.303623
where:
bonds (distance) C4'-P energy: -74.839
bonds (distance) P-C4' energy: -78.845
flat angles C4'-P-C4' energy: -75.707
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -63.772
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: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1142.868018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.868018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.868018 (E_RNA)
where:
Base-Base interactions energy: -791.899
where: short stacking energy: -352.493
Base-Backbone interact. energy: -1.136
local terms energy: -349.833473
where:
bonds (distance) C4'-P energy: -66.004
bonds (distance) P-C4' energy: -68.870
flat angles C4'-P-C4' energy: -83.036
flat angles P-C4'-P energy: -45.073
tors. eta vs tors. theta energy: -86.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -965.598088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.598088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.598088 (E_RNA)
where:
Base-Base interactions energy: -656.644
where: short stacking energy: -275.817
Base-Backbone interact. energy: -2.560
local terms energy: -306.394505
where:
bonds (distance) C4'-P energy: -61.762
bonds (distance) P-C4' energy: -71.159
flat angles C4'-P-C4' energy: -64.597
flat angles P-C4'-P energy: -41.945
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: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -850.797002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.797002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.797002 (E_RNA)
where:
Base-Base interactions energy: -549.151
where: short stacking energy: -252.153
Base-Backbone interact. energy: -2.679
local terms energy: -298.967040
where:
bonds (distance) C4'-P energy: -56.744
bonds (distance) P-C4' energy: -64.662
flat angles C4'-P-C4' energy: -75.050
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -59.696
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: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -672.180632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.180632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.180632 (E_RNA)
where:
Base-Base interactions energy: -418.117
where: short stacking energy: -214.297
Base-Backbone interact. energy: -1.990
local terms energy: -252.073889
where:
bonds (distance) C4'-P energy: -51.974
bonds (distance) P-C4' energy: -64.344
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -44.751
tors. eta vs tors. theta energy: -30.554
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: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -494.323991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.323991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.323991 (E_RNA)
where:
Base-Base interactions energy: -284.421
where: short stacking energy: -144.201
Base-Backbone interact. energy: -2.445
local terms energy: -207.457731
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -63.556
flat angles C4'-P-C4' energy: -49.172
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -6.200
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: 24
Temperature: 1.350000
Total energy: -457.236445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.236445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.236445 (E_RNA)
where:
Base-Base interactions energy: -223.353
where: short stacking energy: -120.594
Base-Backbone interact. energy: -1.202
local terms energy: -232.680976
where:
bonds (distance) C4'-P energy: -61.265
bonds (distance) P-C4' energy: -62.426
flat angles C4'-P-C4' energy: -59.757
flat angles P-C4'-P energy: -36.276
tors. eta vs tors. theta energy: -12.957
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: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1247.972141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.972141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.972141 (E_RNA)
where:
Base-Base interactions energy: -864.420
where: short stacking energy: -359.840
Base-Backbone interact. energy: -1.594
local terms energy: -381.958656
where:
bonds (distance) C4'-P energy: -80.581
bonds (distance) P-C4' energy: -76.540
flat angles C4'-P-C4' energy: -86.504
flat angles P-C4'-P energy: -52.546
tors. eta vs tors. theta energy: -85.787
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1116.945890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.945890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.945890 (E_RNA)
where:
Base-Base interactions energy: -786.738
where: short stacking energy: -326.445
Base-Backbone interact. energy: -1.343
local terms energy: -328.864597
where:
bonds (distance) C4'-P energy: -73.529
bonds (distance) P-C4' energy: -71.896
flat angles C4'-P-C4' energy: -74.907
flat angles P-C4'-P energy: -36.629
tors. eta vs tors. theta energy: -71.905
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: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1099.037984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.037984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.037984 (E_RNA)
where:
Base-Base interactions energy: -737.936
where: short stacking energy: -319.261
Base-Backbone interact. energy: -0.335
local terms energy: -360.766931
where:
bonds (distance) C4'-P energy: -67.025
bonds (distance) P-C4' energy: -72.369
flat angles C4'-P-C4' energy: -74.632
flat angles P-C4'-P energy: -55.886
tors. eta vs tors. theta energy: -90.855
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: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1162.681521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.681521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.681521 (E_RNA)
where:
Base-Base interactions energy: -813.047
where: short stacking energy: -346.616
Base-Backbone interact. energy: 1.037
local terms energy: -350.672081
where:
bonds (distance) C4'-P energy: -69.209
bonds (distance) P-C4' energy: -69.854
flat angles C4'-P-C4' energy: -76.854
flat angles P-C4'-P energy: -40.815
tors. eta vs tors. theta energy: -93.940
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: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -960.487146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.487146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.487146 (E_RNA)
where:
Base-Base interactions energy: -634.340
where: short stacking energy: -276.391
Base-Backbone interact. energy: -0.870
local terms energy: -325.276637
where:
bonds (distance) C4'-P energy: -62.285
bonds (distance) P-C4' energy: -70.004
flat angles C4'-P-C4' energy: -78.126
flat angles P-C4'-P energy: -47.263
tors. eta vs tors. theta energy: -67.598
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: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -947.409888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.409888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.409888 (E_RNA)
where:
Base-Base interactions energy: -637.369
where: short stacking energy: -263.287
Base-Backbone interact. energy: -2.043
local terms energy: -307.997735
where:
bonds (distance) C4'-P energy: -67.836
bonds (distance) P-C4' energy: -77.011
flat angles C4'-P-C4' energy: -72.732
flat angles P-C4'-P energy: -35.176
tors. eta vs tors. theta energy: -55.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -868.238077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.238077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.238077 (E_RNA)
where:
Base-Base interactions energy: -584.905
where: short stacking energy: -259.021
Base-Backbone interact. energy: -1.262
local terms energy: -282.071553
where:
bonds (distance) C4'-P energy: -58.252
bonds (distance) P-C4' energy: -61.791
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -44.837
tors. eta vs tors. theta energy: -60.187
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: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -698.118454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.118454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.118454 (E_RNA)
where:
Base-Base interactions energy: -440.094
where: short stacking energy: -216.339
Base-Backbone interact. energy: 5.175
local terms energy: -263.199739
where:
bonds (distance) C4'-P energy: -60.706
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -67.547
flat angles P-C4'-P energy: -34.747
tors. eta vs tors. theta energy: -32.037
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: 25
Temperature: 1.300000
Total energy: -480.057280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.057280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.057280 (E_RNA)
where:
Base-Base interactions energy: -269.045
where: short stacking energy: -167.017
Base-Backbone interact. energy: -2.237
local terms energy: -208.774778
where:
bonds (distance) C4'-P energy: -54.280
bonds (distance) P-C4' energy: -63.962
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: -14.311
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: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -473.596356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.596356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.596356 (E_RNA)
where:
Base-Base interactions energy: -267.976
where: short stacking energy: -143.918
Base-Backbone interact. energy: 1.436
local terms energy: -207.056532
where:
bonds (distance) C4'-P energy: -62.389
bonds (distance) P-C4' energy: -65.375
flat angles C4'-P-C4' energy: -43.136
flat angles P-C4'-P energy: -31.304
tors. eta vs tors. theta energy: -4.853
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: 26
Temperature: 0.900000
Total energy: -1274.068882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.068882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.068882 (E_RNA)
where:
Base-Base interactions energy: -919.301
where: short stacking energy: -375.119
Base-Backbone interact. energy: 2.715
local terms energy: -357.483266
where:
bonds (distance) C4'-P energy: -64.871
bonds (distance) P-C4' energy: -79.267
flat angles C4'-P-C4' energy: -70.492
flat angles P-C4'-P energy: -54.494
tors. eta vs tors. theta energy: -88.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1143.828722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.828722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.828722 (E_RNA)
where:
Base-Base interactions energy: -786.243
where: short stacking energy: -333.567
Base-Backbone interact. energy: -2.753
local terms energy: -354.832521
where:
bonds (distance) C4'-P energy: -70.908
bonds (distance) P-C4' energy: -65.556
flat angles C4'-P-C4' energy: -80.277
flat angles P-C4'-P energy: -51.673
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: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1203.169950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.169950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.169950 (E_RNA)
where:
Base-Base interactions energy: -828.437
where: short stacking energy: -374.069
Base-Backbone interact. energy: -3.156
local terms energy: -371.577379
where:
bonds (distance) C4'-P energy: -69.405
bonds (distance) P-C4' energy: -71.340
flat angles C4'-P-C4' energy: -80.809
flat angles P-C4'-P energy: -50.473
tors. eta vs tors. theta energy: -99.550
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: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1041.294115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.294115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.294115 (E_RNA)
where:
Base-Base interactions energy: -702.777
where: short stacking energy: -318.220
Base-Backbone interact. energy: -0.790
local terms energy: -337.727735
where:
bonds (distance) C4'-P energy: -71.092
bonds (distance) P-C4' energy: -67.736
flat angles C4'-P-C4' energy: -63.420
flat angles P-C4'-P energy: -51.653
tors. eta vs tors. theta energy: -83.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -973.544132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.544132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.544132 (E_RNA)
where:
Base-Base interactions energy: -662.151
where: short stacking energy: -300.293
Base-Backbone interact. energy: -1.302
local terms energy: -310.091051
where:
bonds (distance) C4'-P energy: -62.788
bonds (distance) P-C4' energy: -61.264
flat angles C4'-P-C4' energy: -72.126
flat angles P-C4'-P energy: -45.136
tors. eta vs tors. theta energy: -68.776
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: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -997.251277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.251277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.251277 (E_RNA)
where:
Base-Base interactions energy: -681.457
where: short stacking energy: -280.976
Base-Backbone interact. energy: -1.376
local terms energy: -314.418142
where:
bonds (distance) C4'-P energy: -66.954
bonds (distance) P-C4' energy: -73.442
flat angles C4'-P-C4' energy: -79.778
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: -59.309
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: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -875.562483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.562483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.562483 (E_RNA)
where:
Base-Base interactions energy: -571.775
where: short stacking energy: -246.784
Base-Backbone interact. energy: -2.331
local terms energy: -301.456175
where:
bonds (distance) C4'-P energy: -52.850
bonds (distance) P-C4' energy: -74.522
flat angles C4'-P-C4' energy: -66.516
flat angles P-C4'-P energy: -43.645
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: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -682.323760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.323760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.323760 (E_RNA)
where:
Base-Base interactions energy: -428.318
where: short stacking energy: -209.425
Base-Backbone interact. energy: -1.831
local terms energy: -252.174676
where:
bonds (distance) C4'-P energy: -51.759
bonds (distance) P-C4' energy: -64.670
flat angles C4'-P-C4' energy: -53.347
flat angles P-C4'-P energy: -41.059
tors. eta vs tors. theta energy: -41.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -492.762063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.762063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.762063 (E_RNA)
where:
Base-Base interactions energy: -265.268
where: short stacking energy: -133.729
Base-Backbone interact. energy: 3.247
local terms energy: -230.740813
where:
bonds (distance) C4'-P energy: -66.714
bonds (distance) P-C4' energy: -62.947
flat angles C4'-P-C4' energy: -66.164
flat angles P-C4'-P energy: -44.199
tors. eta vs tors. theta energy: 9.284
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: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -450.831682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.831682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.831682 (E_RNA)
where:
Base-Base interactions energy: -261.605
where: short stacking energy: -142.704
Base-Backbone interact. energy: -1.547
local terms energy: -187.679124
where:
bonds (distance) C4'-P energy: -49.720
bonds (distance) P-C4' energy: -60.786
flat angles C4'-P-C4' energy: -54.542
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -3.859
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: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1275.829510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.829510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.829510 (E_RNA)
where:
Base-Base interactions energy: -906.456
where: short stacking energy: -359.092
Base-Backbone interact. energy: -1.696
local terms energy: -367.677702
where:
bonds (distance) C4'-P energy: -72.940
bonds (distance) P-C4' energy: -76.450
flat angles C4'-P-C4' energy: -85.447
flat angles P-C4'-P energy: -45.355
tors. eta vs tors. theta energy: -87.485
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: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1224.623957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.623957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.623957 (E_RNA)
where:
Base-Base interactions energy: -847.331
where: short stacking energy: -375.911
Base-Backbone interact. energy: -1.479
local terms energy: -375.813861
where:
bonds (distance) C4'-P energy: -63.671
bonds (distance) P-C4' energy: -78.376
flat angles C4'-P-C4' energy: -67.071
flat angles P-C4'-P energy: -63.483
tors. eta vs tors. theta energy: -103.212
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: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1121.986237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.986237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.986237 (E_RNA)
where:
Base-Base interactions energy: -768.036
where: short stacking energy: -333.065
Base-Backbone interact. energy: -0.382
local terms energy: -353.568424
where:
bonds (distance) C4'-P energy: -65.329
bonds (distance) P-C4' energy: -80.870
flat angles C4'-P-C4' energy: -75.173
flat angles P-C4'-P energy: -42.748
tors. eta vs tors. theta energy: -89.449
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: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1052.916316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.916316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.916316 (E_RNA)
where:
Base-Base interactions energy: -711.000
where: short stacking energy: -326.607
Base-Backbone interact. energy: -0.756
local terms energy: -341.159980
where:
bonds (distance) C4'-P energy: -63.741
bonds (distance) P-C4' energy: -75.927
flat angles C4'-P-C4' energy: -73.252
flat angles P-C4'-P energy: -48.143
tors. eta vs tors. theta energy: -80.097
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: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -989.906805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.906805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.906805 (E_RNA)
where:
Base-Base interactions energy: -648.198
where: short stacking energy: -312.457
Base-Backbone interact. energy: 0.996
local terms energy: -342.704745
where:
bonds (distance) C4'-P energy: -61.020
bonds (distance) P-C4' energy: -68.298
flat angles C4'-P-C4' energy: -76.273
flat angles P-C4'-P energy: -60.481
tors. eta vs tors. theta energy: -76.632
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: 6, replica: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1020.659530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.659530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.659530 (E_RNA)
where:
Base-Base interactions energy: -697.037
where: short stacking energy: -303.919
Base-Backbone interact. energy: -0.286
local terms energy: -323.336825
where:
bonds (distance) C4'-P energy: -61.105
bonds (distance) P-C4' energy: -71.254
flat angles C4'-P-C4' energy: -62.713
flat angles P-C4'-P energy: -51.389
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: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -870.644268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.644268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.644268 (E_RNA)
where:
Base-Base interactions energy: -585.047
where: short stacking energy: -278.189
Base-Backbone interact. energy: -1.091
local terms energy: -284.505754
where:
bonds (distance) C4'-P energy: -56.481
bonds (distance) P-C4' energy: -60.160
flat angles C4'-P-C4' energy: -65.715
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -58.829
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: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -662.213660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.213660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.213660 (E_RNA)
where:
Base-Base interactions energy: -412.364
where: short stacking energy: -212.395
Base-Backbone interact. energy: 3.718
local terms energy: -253.566972
where:
bonds (distance) C4'-P energy: -58.401
bonds (distance) P-C4' energy: -67.285
flat angles C4'-P-C4' energy: -48.057
flat angles P-C4'-P energy: -32.646
tors. eta vs tors. theta energy: -47.177
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: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -539.754555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.754555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.754555 (E_RNA)
where:
Base-Base interactions energy: -303.075
where: short stacking energy: -153.309
Base-Backbone interact. energy: -0.403
local terms energy: -236.276366
where:
bonds (distance) C4'-P energy: -68.353
bonds (distance) P-C4' energy: -60.920
flat angles C4'-P-C4' energy: -56.286
flat angles P-C4'-P energy: -42.877
tors. eta vs tors. theta energy: -7.840
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: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -466.355479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.355479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.355479 (E_RNA)
where:
Base-Base interactions energy: -249.246
where: short stacking energy: -133.742
Base-Backbone interact. energy: 1.960
local terms energy: -219.069053
where:
bonds (distance) C4'-P energy: -62.310
bonds (distance) P-C4' energy: -47.676
flat angles C4'-P-C4' energy: -66.713
flat angles P-C4'-P energy: -43.355
tors. eta vs tors. theta energy: 0.985
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: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1285.498491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.498491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.498491 (E_RNA)
where:
Base-Base interactions energy: -908.557
where: short stacking energy: -380.754
Base-Backbone interact. energy: -0.221
local terms energy: -376.720360
where:
bonds (distance) C4'-P energy: -77.249
bonds (distance) P-C4' energy: -80.964
flat angles C4'-P-C4' energy: -70.331
flat angles P-C4'-P energy: -54.208
tors. eta vs tors. theta energy: -93.967
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: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1215.798626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.798626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.798626 (E_RNA)
where:
Base-Base interactions energy: -838.202
where: short stacking energy: -371.235
Base-Backbone interact. energy: -1.132
local terms energy: -376.464967
where:
bonds (distance) C4'-P energy: -76.236
bonds (distance) P-C4' energy: -66.403
flat angles C4'-P-C4' energy: -74.147
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -103.752
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: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1122.721665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.721665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.721665 (E_RNA)
where:
Base-Base interactions energy: -768.450
where: short stacking energy: -325.338
Base-Backbone interact. energy: 2.987
local terms energy: -357.258375
where:
bonds (distance) C4'-P energy: -75.183
bonds (distance) P-C4' energy: -71.764
flat angles C4'-P-C4' energy: -79.105
flat angles P-C4'-P energy: -48.644
tors. eta vs tors. theta energy: -82.561
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: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1073.468082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.468082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.468082 (E_RNA)
where:
Base-Base interactions energy: -723.224
where: short stacking energy: -320.831
Base-Backbone interact. energy: -0.436
local terms energy: -349.808234
where:
bonds (distance) C4'-P energy: -71.899
bonds (distance) P-C4' energy: -66.705
flat angles C4'-P-C4' energy: -80.716
flat angles P-C4'-P energy: -52.777
tors. eta vs tors. theta energy: -77.711
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: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1022.936271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.936271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.936271 (E_RNA)
where:
Base-Base interactions energy: -680.790
where: short stacking energy: -292.609
Base-Backbone interact. energy: -2.478
local terms energy: -339.668712
where:
bonds (distance) C4'-P energy: -73.157
bonds (distance) P-C4' energy: -70.644
flat angles C4'-P-C4' energy: -69.449
flat angles P-C4'-P energy: -47.966
tors. eta vs tors. theta energy: -78.453
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: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1026.643199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.643199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.643199 (E_RNA)
where:
Base-Base interactions energy: -716.424
where: short stacking energy: -297.763
Base-Backbone interact. energy: -0.554
local terms energy: -309.666009
where:
bonds (distance) C4'-P energy: -73.488
bonds (distance) P-C4' energy: -64.575
flat angles C4'-P-C4' energy: -59.975
flat angles P-C4'-P energy: -50.719
tors. eta vs tors. theta energy: -60.909
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: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -843.166043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.166043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.166043 (E_RNA)
where:
Base-Base interactions energy: -548.101
where: short stacking energy: -250.938
Base-Backbone interact. energy: -1.428
local terms energy: -293.636673
where:
bonds (distance) C4'-P energy: -67.726
bonds (distance) P-C4' energy: -71.954
flat angles C4'-P-C4' energy: -62.453
flat angles P-C4'-P energy: -41.306
tors. eta vs tors. theta energy: -50.198
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: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -685.731096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.731096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.731096 (E_RNA)
where:
Base-Base interactions energy: -433.745
where: short stacking energy: -206.355
Base-Backbone interact. energy: 2.702
local terms energy: -254.688935
where:
bonds (distance) C4'-P energy: -64.081
bonds (distance) P-C4' energy: -62.959
flat angles C4'-P-C4' energy: -60.959
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -33.596
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: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -501.218263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.218263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.218263 (E_RNA)
where:
Base-Base interactions energy: -264.985
where: short stacking energy: -163.057
Base-Backbone interact. energy: -1.039
local terms energy: -235.194843
where:
bonds (distance) C4'-P energy: -68.671
bonds (distance) P-C4' energy: -55.032
flat angles C4'-P-C4' energy: -56.736
flat angles P-C4'-P energy: -37.710
tors. eta vs tors. theta energy: -17.046
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: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -446.560034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.560034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.560034 (E_RNA)
where:
Base-Base interactions energy: -244.946
where: short stacking energy: -130.385
Base-Backbone interact. energy: -2.336
local terms energy: -199.278239
where:
bonds (distance) C4'-P energy: -60.504
bonds (distance) P-C4' energy: -57.805
flat angles C4'-P-C4' energy: -56.952
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: 2.497
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: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1271.839942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.839942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.839942 (E_RNA)
where:
Base-Base interactions energy: -892.362
where: short stacking energy: -381.597
Base-Backbone interact. energy: -2.718
local terms energy: -376.760093
where:
bonds (distance) C4'-P energy: -68.707
bonds (distance) P-C4' energy: -78.115
flat angles C4'-P-C4' energy: -75.233
flat angles P-C4'-P energy: -58.551
tors. eta vs tors. theta energy: -96.153
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: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1243.131493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.131493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.131493 (E_RNA)
where:
Base-Base interactions energy: -851.939
where: short stacking energy: -411.440
Base-Backbone interact. energy: -2.733
local terms energy: -388.458944
where:
bonds (distance) C4'-P energy: -71.461
bonds (distance) P-C4' energy: -77.353
flat angles C4'-P-C4' energy: -84.487
flat angles P-C4'-P energy: -45.061
tors. eta vs tors. theta energy: -110.097
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: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1148.845342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.845342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.845342 (E_RNA)
where:
Base-Base interactions energy: -806.711
where: short stacking energy: -326.924
Base-Backbone interact. energy: -2.377
local terms energy: -339.757238
where:
bonds (distance) C4'-P energy: -74.523
bonds (distance) P-C4' energy: -71.222
flat angles C4'-P-C4' energy: -76.860
flat angles P-C4'-P energy: -42.225
tors. eta vs tors. theta energy: -74.926
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: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1083.581813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.581813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.581813 (E_RNA)
where:
Base-Base interactions energy: -762.505
where: short stacking energy: -328.616
Base-Backbone interact. energy: 0.824
local terms energy: -321.900415
where:
bonds (distance) C4'-P energy: -57.484
bonds (distance) P-C4' energy: -63.497
flat angles C4'-P-C4' energy: -78.710
flat angles P-C4'-P energy: -49.407
tors. eta vs tors. theta energy: -72.802
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: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1028.123027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.123027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.123027 (E_RNA)
where:
Base-Base interactions energy: -706.525
where: short stacking energy: -312.936
Base-Backbone interact. energy: -1.416
local terms energy: -320.182002
where:
bonds (distance) C4'-P energy: -64.967
bonds (distance) P-C4' energy: -51.173
flat angles C4'-P-C4' energy: -74.737
flat angles P-C4'-P energy: -50.469
tors. eta vs tors. theta energy: -78.837
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: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1015.131252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.131252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.131252 (E_RNA)
where:
Base-Base interactions energy: -695.984
where: short stacking energy: -305.978
Base-Backbone interact. energy: -2.122
local terms energy: -317.025478
where:
bonds (distance) C4'-P energy: -62.894
bonds (distance) P-C4' energy: -67.882
flat angles C4'-P-C4' energy: -76.243
flat angles P-C4'-P energy: -35.243
tors. eta vs tors. theta energy: -74.764
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: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -954.585454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.585454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.585454 (E_RNA)
where:
Base-Base interactions energy: -654.725
where: short stacking energy: -295.190
Base-Backbone interact. energy: -1.589
local terms energy: -298.271729
where:
bonds (distance) C4'-P energy: -65.456
bonds (distance) P-C4' energy: -64.512
flat angles C4'-P-C4' energy: -68.760
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -69.939
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: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -656.304935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.304935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.304935 (E_RNA)
where:
Base-Base interactions energy: -369.040
where: short stacking energy: -189.326
Base-Backbone interact. energy: -0.654
local terms energy: -286.611168
where:
bonds (distance) C4'-P energy: -64.019
bonds (distance) P-C4' energy: -72.905
flat angles C4'-P-C4' energy: -67.445
flat angles P-C4'-P energy: -50.025
tors. eta vs tors. theta energy: -32.217
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: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -514.951400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.951400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.951400 (E_RNA)
where:
Base-Base interactions energy: -273.142
where: short stacking energy: -147.099
Base-Backbone interact. energy: -0.734
local terms energy: -241.074778
where:
bonds (distance) C4'-P energy: -69.773
bonds (distance) P-C4' energy: -64.495
flat angles C4'-P-C4' energy: -64.103
flat angles P-C4'-P energy: -26.889
tors. eta vs tors. theta energy: -15.815
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: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -482.499924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.499924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.499924 (E_RNA)
where:
Base-Base interactions energy: -251.555
where: short stacking energy: -162.186
Base-Backbone interact. energy: -1.586
local terms energy: -229.359155
where:
bonds (distance) C4'-P energy: -48.518
bonds (distance) P-C4' energy: -58.353
flat angles C4'-P-C4' energy: -64.714
flat angles P-C4'-P energy: -31.077
tors. eta vs tors. theta energy: -26.697
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: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1271.455656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.455656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.455656 (E_RNA)
where:
Base-Base interactions energy: -859.742
where: short stacking energy: -385.632
Base-Backbone interact. energy: -0.905
local terms energy: -410.808741
where:
bonds (distance) C4'-P energy: -74.322
bonds (distance) P-C4' energy: -80.676
flat angles C4'-P-C4' energy: -90.958
flat angles P-C4'-P energy: -50.953
tors. eta vs tors. theta energy: -113.900
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: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1236.849457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.849457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.849457 (E_RNA)
where:
Base-Base interactions energy: -885.700
where: short stacking energy: -357.518
Base-Backbone interact. energy: -0.607
local terms energy: -350.543275
where:
bonds (distance) C4'-P energy: -66.417
bonds (distance) P-C4' energy: -71.262
flat angles C4'-P-C4' energy: -70.365
flat angles P-C4'-P energy: -57.377
tors. eta vs tors. theta energy: -85.122
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: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1159.157263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.157263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.157263 (E_RNA)
where:
Base-Base interactions energy: -794.212
where: short stacking energy: -324.327
Base-Backbone interact. energy: -3.843
local terms energy: -361.101655
where:
bonds (distance) C4'-P energy: -73.806
bonds (distance) P-C4' energy: -73.614
flat angles C4'-P-C4' energy: -73.788
flat angles P-C4'-P energy: -52.940
tors. eta vs tors. theta energy: -86.953
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: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1058.089062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.089062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.089062 (E_RNA)
where:
Base-Base interactions energy: -704.981
where: short stacking energy: -311.461
Base-Backbone interact. energy: -1.145
local terms energy: -351.963454
where:
bonds (distance) C4'-P energy: -76.443
bonds (distance) P-C4' energy: -68.884
flat angles C4'-P-C4' energy: -66.582
flat angles P-C4'-P energy: -47.828
tors. eta vs tors. theta energy: -92.227
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: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1011.018011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.018011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.018011 (E_RNA)
where:
Base-Base interactions energy: -685.930
where: short stacking energy: -281.577
Base-Backbone interact. energy: 0.379
local terms energy: -325.466937
where:
bonds (distance) C4'-P energy: -76.454
bonds (distance) P-C4' energy: -56.604
flat angles C4'-P-C4' energy: -74.310
flat angles P-C4'-P energy: -52.159
tors. eta vs tors. theta energy: -65.940
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: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1037.934069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.934069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.934069 (E_RNA)
where:
Base-Base interactions energy: -728.988
where: short stacking energy: -302.525
Base-Backbone interact. energy: -0.543
local terms energy: -308.403671
where:
bonds (distance) C4'-P energy: -68.615
bonds (distance) P-C4' energy: -57.679
flat angles C4'-P-C4' energy: -65.961
flat angles P-C4'-P energy: -38.297
tors. eta vs tors. theta energy: -77.852
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: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -951.382970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.382970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.382970 (E_RNA)
where:
Base-Base interactions energy: -637.452
where: short stacking energy: -287.890
Base-Backbone interact. energy: 6.764
local terms energy: -320.695268
where:
bonds (distance) C4'-P energy: -64.271
bonds (distance) P-C4' energy: -68.348
flat angles C4'-P-C4' energy: -64.786
flat angles P-C4'-P energy: -41.959
tors. eta vs tors. theta energy: -81.332
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: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -658.678416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.678416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.678416 (E_RNA)
where:
Base-Base interactions energy: -373.401
where: short stacking energy: -188.461
Base-Backbone interact. energy: -1.629
local terms energy: -283.648064
where:
bonds (distance) C4'-P energy: -64.926
bonds (distance) P-C4' energy: -61.200
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -46.908
tors. eta vs tors. theta energy: -33.273
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: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -677.684660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.684660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.684660 (E_RNA)
where:
Base-Base interactions energy: -406.835
where: short stacking energy: -197.567
Base-Backbone interact. energy: 3.341
local terms energy: -274.190935
where:
bonds (distance) C4'-P energy: -62.124
bonds (distance) P-C4' energy: -72.172
flat angles C4'-P-C4' energy: -50.969
flat angles P-C4'-P energy: -46.113
tors. eta vs tors. theta energy: -42.812
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: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -493.381815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.381815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.381815 (E_RNA)
where:
Base-Base interactions energy: -286.096
where: short stacking energy: -150.555
Base-Backbone interact. energy: -0.594
local terms energy: -206.692525
where:
bonds (distance) C4'-P energy: -57.811
bonds (distance) P-C4' energy: -58.017
flat angles C4'-P-C4' energy: -50.708
flat angles P-C4'-P energy: -36.655
tors. eta vs tors. theta energy: -3.502
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: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1273.776913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.776913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.776913 (E_RNA)
where:
Base-Base interactions energy: -865.246
where: short stacking energy: -403.769
Base-Backbone interact. energy: -0.621
local terms energy: -407.909407
where:
bonds (distance) C4'-P energy: -70.976
bonds (distance) P-C4' energy: -74.514
flat angles C4'-P-C4' energy: -89.942
flat angles P-C4'-P energy: -61.822
tors. eta vs tors. theta energy: -110.657
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: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1178.966067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.966067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.966067 (E_RNA)
where:
Base-Base interactions energy: -809.189
where: short stacking energy: -353.546
Base-Backbone interact. energy: -2.938
local terms energy: -366.838272
where:
bonds (distance) C4'-P energy: -70.448
bonds (distance) P-C4' energy: -66.783
flat angles C4'-P-C4' energy: -78.509
flat angles P-C4'-P energy: -55.301
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: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1209.116732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.116732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.116732 (E_RNA)
where:
Base-Base interactions energy: -852.287
where: short stacking energy: -342.923
Base-Backbone interact. energy: -0.174
local terms energy: -356.655563
where:
bonds (distance) C4'-P energy: -66.312
bonds (distance) P-C4' energy: -69.603
flat angles C4'-P-C4' energy: -83.023
flat angles P-C4'-P energy: -53.673
tors. eta vs tors. theta energy: -84.044
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: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1069.172946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.172946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.172946 (E_RNA)
where:
Base-Base interactions energy: -714.247
where: short stacking energy: -294.318
Base-Backbone interact. energy: -1.088
local terms energy: -353.838699
where:
bonds (distance) C4'-P energy: -67.776
bonds (distance) P-C4' energy: -72.228
flat angles C4'-P-C4' energy: -81.415
flat angles P-C4'-P energy: -55.767
tors. eta vs tors. theta energy: -76.653
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: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1057.760642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.760642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.760642 (E_RNA)
where:
Base-Base interactions energy: -701.321
where: short stacking energy: -311.822
Base-Backbone interact. energy: -0.828
local terms energy: -355.611737
where:
bonds (distance) C4'-P energy: -74.760
bonds (distance) P-C4' energy: -70.572
flat angles C4'-P-C4' energy: -76.249
flat angles P-C4'-P energy: -51.003
tors. eta vs tors. theta energy: -83.027
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: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1034.495895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.495895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.495895 (E_RNA)
where:
Base-Base interactions energy: -712.347
where: short stacking energy: -308.444
Base-Backbone interact. energy: 4.601
local terms energy: -326.750201
where:
bonds (distance) C4'-P energy: -67.934
bonds (distance) P-C4' energy: -69.242
flat angles C4'-P-C4' energy: -68.157
flat angles P-C4'-P energy: -41.945
tors. eta vs tors. theta energy: -79.472
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: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -944.110517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.110517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.110517 (E_RNA)
where:
Base-Base interactions energy: -646.710
where: short stacking energy: -283.930
Base-Backbone interact. energy: 0.273
local terms energy: -297.673522
where:
bonds (distance) C4'-P energy: -55.645
bonds (distance) P-C4' energy: -61.371
flat angles C4'-P-C4' energy: -57.999
flat angles P-C4'-P energy: -46.460
tors. eta vs tors. theta energy: -76.199
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: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -754.543049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.543049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.543049 (E_RNA)
where:
Base-Base interactions energy: -490.974
where: short stacking energy: -241.038
Base-Backbone interact. energy: 0.024
local terms energy: -263.593502
where:
bonds (distance) C4'-P energy: -58.790
bonds (distance) P-C4' energy: -56.045
flat angles C4'-P-C4' energy: -62.193
flat angles P-C4'-P energy: -30.771
tors. eta vs tors. theta energy: -55.794
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: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -706.644734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.644734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.644734 (E_RNA)
where:
Base-Base interactions energy: -455.798
where: short stacking energy: -210.548
Base-Backbone interact. energy: -1.391
local terms energy: -249.456074
where:
bonds (distance) C4'-P energy: -50.313
bonds (distance) P-C4' energy: -74.939
flat angles C4'-P-C4' energy: -66.433
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -40.340
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: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -560.164523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.164523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.164523 (E_RNA)
where:
Base-Base interactions energy: -333.133
where: short stacking energy: -149.933
Base-Backbone interact. energy: 2.748
local terms energy: -229.779432
where:
bonds (distance) C4'-P energy: -67.149
bonds (distance) P-C4' energy: -60.544
flat angles C4'-P-C4' energy: -59.315
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -19.555
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: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1263.919180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.919180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.919180 (E_RNA)
where:
Base-Base interactions energy: -870.861
where: short stacking energy: -394.408
Base-Backbone interact. energy: -1.370
local terms energy: -391.688802
where:
bonds (distance) C4'-P energy: -68.794
bonds (distance) P-C4' energy: -74.968
flat angles C4'-P-C4' energy: -80.915
flat angles P-C4'-P energy: -56.665
tors. eta vs tors. theta energy: -110.346
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: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1162.886676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.886676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.886676 (E_RNA)
where:
Base-Base interactions energy: -799.201
where: short stacking energy: -337.218
Base-Backbone interact. energy: 0.798
local terms energy: -364.483722
where:
bonds (distance) C4'-P energy: -75.901
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -77.980
flat angles P-C4'-P energy: -54.175
tors. eta vs tors. theta energy: -92.006
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: 32
Temperature: 1.000000
Total energy: -1200.936327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.936327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.936327 (E_RNA)
where:
Base-Base interactions energy: -848.830
where: short stacking energy: -351.357
Base-Backbone interact. energy: -2.854
local terms energy: -349.252486
where:
bonds (distance) C4'-P energy: -66.450
bonds (distance) P-C4' energy: -67.714
flat angles C4'-P-C4' energy: -76.788
flat angles P-C4'-P energy: -52.783
tors. eta vs tors. theta energy: -85.518
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: 32
Temperature: 1.050000
Total energy: -1052.497695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.497695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.497695 (E_RNA)
where:
Base-Base interactions energy: -723.404
where: short stacking energy: -285.427
Base-Backbone interact. energy: 2.411
local terms energy: -331.503983
where:
bonds (distance) C4'-P energy: -68.232
bonds (distance) P-C4' energy: -74.669
flat angles C4'-P-C4' energy: -71.058
flat angles P-C4'-P energy: -48.027
tors. eta vs tors. theta energy: -69.517
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: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1070.950758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.950758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.950758 (E_RNA)
where:
Base-Base interactions energy: -740.780
where: short stacking energy: -338.892
Base-Backbone interact. energy: -1.817
local terms energy: -328.354328
where:
bonds (distance) C4'-P energy: -61.732
bonds (distance) P-C4' energy: -62.817
flat angles C4'-P-C4' energy: -71.681
flat angles P-C4'-P energy: -37.414
tors. eta vs tors. theta energy: -94.711
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: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1053.225032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.225032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.225032 (E_RNA)
where:
Base-Base interactions energy: -727.640
where: short stacking energy: -302.349
Base-Backbone interact. energy: 0.043
local terms energy: -325.627369
where:
bonds (distance) C4'-P energy: -69.196
bonds (distance) P-C4' energy: -75.104
flat angles C4'-P-C4' energy: -68.994
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -73.997
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: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -953.727992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.727992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.727992 (E_RNA)
where:
Base-Base interactions energy: -634.002
where: short stacking energy: -270.960
Base-Backbone interact. energy: -2.406
local terms energy: -317.319813
where:
bonds (distance) C4'-P energy: -62.992
bonds (distance) P-C4' energy: -57.124
flat angles C4'-P-C4' energy: -78.594
flat angles P-C4'-P energy: -50.761
tors. eta vs tors. theta energy: -67.849
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: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -723.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.747769 (E_RNA)
where:
Base-Base interactions energy: -461.834
where: short stacking energy: -239.656
Base-Backbone interact. energy: -1.005
local terms energy: -260.908582
where:
bonds (distance) C4'-P energy: -66.294
bonds (distance) P-C4' energy: -50.001
flat angles C4'-P-C4' energy: -70.820
flat angles P-C4'-P energy: -27.824
tors. eta vs tors. theta energy: -45.971
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: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -681.607564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.607564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.607564 (E_RNA)
where:
Base-Base interactions energy: -430.207
where: short stacking energy: -197.320
Base-Backbone interact. energy: -0.711
local terms energy: -250.690157
where:
bonds (distance) C4'-P energy: -62.653
bonds (distance) P-C4' energy: -50.212
flat angles C4'-P-C4' energy: -62.472
flat angles P-C4'-P energy: -39.325
tors. eta vs tors. theta energy: -36.029
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: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -532.863414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.863414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.863414 (E_RNA)
where:
Base-Base interactions energy: -308.210
where: short stacking energy: -144.268
Base-Backbone interact. energy: -0.649
local terms energy: -224.004569
where:
bonds (distance) C4'-P energy: -67.213
bonds (distance) P-C4' energy: -45.147
flat angles C4'-P-C4' energy: -67.013
flat angles P-C4'-P energy: -33.686
tors. eta vs tors. theta energy: -10.945
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: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1330.499802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.499802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.499802 (E_RNA)
where:
Base-Base interactions energy: -931.734
where: short stacking energy: -410.607
Base-Backbone interact. energy: 0.346
local terms energy: -399.111717
where:
bonds (distance) C4'-P energy: -80.976
bonds (distance) P-C4' energy: -69.052
flat angles C4'-P-C4' energy: -84.338
flat angles P-C4'-P energy: -51.264
tors. eta vs tors. theta energy: -113.482
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: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1222.956754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.956754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.956754 (E_RNA)
where:
Base-Base interactions energy: -845.879
where: short stacking energy: -358.635
Base-Backbone interact. energy: -1.621
local terms energy: -375.456421
where:
bonds (distance) C4'-P energy: -75.849
bonds (distance) P-C4' energy: -71.517
flat angles C4'-P-C4' energy: -88.840
flat angles P-C4'-P energy: -57.140
tors. eta vs tors. theta energy: -82.110
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: 33
Temperature: 1.000000
Total energy: -1186.295742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.295742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.295742 (E_RNA)
where:
Base-Base interactions energy: -801.561
where: short stacking energy: -362.227
Base-Backbone interact. energy: 1.629
local terms energy: -386.364259
where:
bonds (distance) C4'-P energy: -65.220
bonds (distance) P-C4' energy: -79.767
flat angles C4'-P-C4' energy: -78.338
flat angles P-C4'-P energy: -59.748
tors. eta vs tors. theta energy: -103.291
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: 33
Temperature: 1.050000
Total energy: -1073.993676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.993676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.993676 (E_RNA)
where:
Base-Base interactions energy: -756.626
where: short stacking energy: -310.604
Base-Backbone interact. energy: -2.031
local terms energy: -315.336197
where:
bonds (distance) C4'-P energy: -59.997
bonds (distance) P-C4' energy: -59.177
flat angles C4'-P-C4' energy: -77.936
flat angles P-C4'-P energy: -50.598
tors. eta vs tors. theta energy: -67.629
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: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1050.819028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.819028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.819028 (E_RNA)
where:
Base-Base interactions energy: -711.748
where: short stacking energy: -328.428
Base-Backbone interact. energy: -1.321
local terms energy: -337.750500
where:
bonds (distance) C4'-P energy: -62.892
bonds (distance) P-C4' energy: -61.449
flat angles C4'-P-C4' energy: -70.309
flat angles P-C4'-P energy: -55.818
tors. eta vs tors. theta energy: -87.283
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: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1048.390762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.390762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.390762 (E_RNA)
where:
Base-Base interactions energy: -724.182
where: short stacking energy: -259.289
Base-Backbone interact. energy: -1.747
local terms energy: -322.461777
where:
bonds (distance) C4'-P energy: -62.298
bonds (distance) P-C4' energy: -72.262
flat angles C4'-P-C4' energy: -73.305
flat angles P-C4'-P energy: -46.073
tors. eta vs tors. theta energy: -68.525
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: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -969.834341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.834341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.834341 (E_RNA)
where:
Base-Base interactions energy: -678.344
where: short stacking energy: -310.440
Base-Backbone interact. energy: -2.228
local terms energy: -289.262333
where:
bonds (distance) C4'-P energy: -38.742
bonds (distance) P-C4' energy: -63.982
flat angles C4'-P-C4' energy: -73.283
flat angles P-C4'-P energy: -45.069
tors. eta vs tors. theta energy: -68.187
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: 33
Temperature: 1.250000
Total energy: -745.612680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.612680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.612680 (E_RNA)
where:
Base-Base interactions energy: -487.063
where: short stacking energy: -208.062
Base-Backbone interact. energy: 1.459
local terms energy: -260.008656
where:
bonds (distance) C4'-P energy: -58.713
bonds (distance) P-C4' energy: -66.150
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: -38.406
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: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -608.019151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.019151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.019151 (E_RNA)
where:
Base-Base interactions energy: -348.165
where: short stacking energy: -170.255
Base-Backbone interact. energy: -1.791
local terms energy: -258.062916
where:
bonds (distance) C4'-P energy: -56.427
bonds (distance) P-C4' energy: -75.654
flat angles C4'-P-C4' energy: -54.048
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -28.745
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: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -597.295495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.295495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.295495 (E_RNA)
where:
Base-Base interactions energy: -350.126
where: short stacking energy: -161.340
Base-Backbone interact. energy: -0.233
local terms energy: -246.936481
where:
bonds (distance) C4'-P energy: -62.163
bonds (distance) P-C4' energy: -71.302
flat angles C4'-P-C4' energy: -62.152
flat angles P-C4'-P energy: -31.758
tors. eta vs tors. theta energy: -19.561
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: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1283.250709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.250709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.250709 (E_RNA)
where:
Base-Base interactions energy: -886.012
where: short stacking energy: -385.314
Base-Backbone interact. energy: -2.945
local terms energy: -394.294123
where:
bonds (distance) C4'-P energy: -76.106
bonds (distance) P-C4' energy: -72.189
flat angles C4'-P-C4' energy: -81.723
flat angles P-C4'-P energy: -54.027
tors. eta vs tors. theta energy: -110.250
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: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1209.513701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.513701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.513701 (E_RNA)
where:
Base-Base interactions energy: -837.598
where: short stacking energy: -356.378
Base-Backbone interact. energy: 0.314
local terms energy: -372.229183
where:
bonds (distance) C4'-P energy: -69.114
bonds (distance) P-C4' energy: -71.435
flat angles C4'-P-C4' energy: -83.722
flat angles P-C4'-P energy: -53.078
tors. eta vs tors. theta energy: -94.880
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: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1177.217419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.217419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.217419 (E_RNA)
where:
Base-Base interactions energy: -817.223
where: short stacking energy: -356.892
Base-Backbone interact. energy: -3.107
local terms energy: -356.886940
where:
bonds (distance) C4'-P energy: -60.640
bonds (distance) P-C4' energy: -64.748
flat angles C4'-P-C4' energy: -78.815
flat angles P-C4'-P energy: -57.926
tors. eta vs tors. theta energy: -94.759
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: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1071.413139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.413139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.413139 (E_RNA)
where:
Base-Base interactions energy: -727.825
where: short stacking energy: -294.563
Base-Backbone interact. energy: -2.172
local terms energy: -341.416221
where:
bonds (distance) C4'-P energy: -66.419
bonds (distance) P-C4' energy: -71.210
flat angles C4'-P-C4' energy: -71.504
flat angles P-C4'-P energy: -50.881
tors. eta vs tors. theta energy: -81.402
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: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1066.647836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.647836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.647836 (E_RNA)
where:
Base-Base interactions energy: -723.264
where: short stacking energy: -302.125
Base-Backbone interact. energy: -2.414
local terms energy: -340.969821
where:
bonds (distance) C4'-P energy: -77.768
bonds (distance) P-C4' energy: -74.977
flat angles C4'-P-C4' energy: -66.855
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: -76.784
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: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -966.737428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.737428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.737428 (E_RNA)
where:
Base-Base interactions energy: -659.810
where: short stacking energy: -305.051
Base-Backbone interact. energy: -1.536
local terms energy: -305.390733
where:
bonds (distance) C4'-P energy: -63.829
bonds (distance) P-C4' energy: -67.387
flat angles C4'-P-C4' energy: -70.051
flat angles P-C4'-P energy: -30.017
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: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -949.543390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.543390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.543390 (E_RNA)
where:
Base-Base interactions energy: -642.503
where: short stacking energy: -288.642
Base-Backbone interact. energy: -1.725
local terms energy: -305.315053
where:
bonds (distance) C4'-P energy: -59.122
bonds (distance) P-C4' energy: -64.085
flat angles C4'-P-C4' energy: -70.261
flat angles P-C4'-P energy: -44.146
tors. eta vs tors. theta energy: -67.701
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: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -769.884687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.884687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.884687 (E_RNA)
where:
Base-Base interactions energy: -499.734
where: short stacking energy: -223.608
Base-Backbone interact. energy: -0.712
local terms energy: -269.438399
where:
bonds (distance) C4'-P energy: -59.069
bonds (distance) P-C4' energy: -62.401
flat angles C4'-P-C4' energy: -63.231
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -46.051
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: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -640.226137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.226137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.226137 (E_RNA)
where:
Base-Base interactions energy: -418.334
where: short stacking energy: -202.939
Base-Backbone interact. energy: -1.117
local terms energy: -220.775484
where:
bonds (distance) C4'-P energy: -58.881
bonds (distance) P-C4' energy: -45.447
flat angles C4'-P-C4' energy: -59.247
flat angles P-C4'-P energy: -29.042
tors. eta vs tors. theta energy: -28.158
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: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -588.442983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.442983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.442983 (E_RNA)
where:
Base-Base interactions energy: -358.635
where: short stacking energy: -163.202
Base-Backbone interact. energy: -0.460
local terms energy: -229.347226
where:
bonds (distance) C4'-P energy: -60.389
bonds (distance) P-C4' energy: -57.356
flat angles C4'-P-C4' energy: -50.643
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -19.919
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: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1310.795782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.795782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.795782 (E_RNA)
where:
Base-Base interactions energy: -925.530
where: short stacking energy: -406.432
Base-Backbone interact. energy: 0.714
local terms energy: -385.980106
where:
bonds (distance) C4'-P energy: -76.947
bonds (distance) P-C4' energy: -66.752
flat angles C4'-P-C4' energy: -81.664
flat angles P-C4'-P energy: -51.679
tors. eta vs tors. theta energy: -108.938
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: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1184.455601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.455601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.455601 (E_RNA)
where:
Base-Base interactions energy: -807.935
where: short stacking energy: -339.634
Base-Backbone interact. energy: -3.860
local terms energy: -372.660544
where:
bonds (distance) C4'-P energy: -77.515
bonds (distance) P-C4' energy: -75.400
flat angles C4'-P-C4' energy: -83.946
flat angles P-C4'-P energy: -46.742
tors. eta vs tors. theta energy: -89.057
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: 35
Temperature: 1.000000
Total energy: -1178.945276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.945276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.945276 (E_RNA)
where:
Base-Base interactions energy: -840.757
where: short stacking energy: -356.047
Base-Backbone interact. energy: -1.127
local terms energy: -337.061346
where:
bonds (distance) C4'-P energy: -68.863
bonds (distance) P-C4' energy: -62.282
flat angles C4'-P-C4' energy: -76.776
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: -89.160
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: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1079.644580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.644580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.644580 (E_RNA)
where:
Base-Base interactions energy: -741.166
where: short stacking energy: -309.482
Base-Backbone interact. energy: -0.344
local terms energy: -338.134536
where:
bonds (distance) C4'-P energy: -70.046
bonds (distance) P-C4' energy: -67.146
flat angles C4'-P-C4' energy: -77.351
flat angles P-C4'-P energy: -44.977
tors. eta vs tors. theta energy: -78.614
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: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1061.724441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.724441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.724441 (E_RNA)
where:
Base-Base interactions energy: -731.648
where: short stacking energy: -305.740
Base-Backbone interact. energy: -1.851
local terms energy: -328.225474
where:
bonds (distance) C4'-P energy: -66.533
bonds (distance) P-C4' energy: -69.474
flat angles C4'-P-C4' energy: -68.909
flat angles P-C4'-P energy: -43.620
tors. eta vs tors. theta energy: -79.689
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: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1034.386409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.386409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.386409 (E_RNA)
where:
Base-Base interactions energy: -710.402
where: short stacking energy: -297.043
Base-Backbone interact. energy: -2.130
local terms energy: -321.854547
where:
bonds (distance) C4'-P energy: -59.875
bonds (distance) P-C4' energy: -68.716
flat angles C4'-P-C4' energy: -77.319
flat angles P-C4'-P energy: -48.661
tors. eta vs tors. theta energy: -67.284
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: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -951.612099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.612099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.612099 (E_RNA)
where:
Base-Base interactions energy: -621.844
where: short stacking energy: -290.437
Base-Backbone interact. energy: 0.718
local terms energy: -330.486493
where:
bonds (distance) C4'-P energy: -58.897
bonds (distance) P-C4' energy: -68.614
flat angles C4'-P-C4' energy: -84.243
flat angles P-C4'-P energy: -47.061
tors. eta vs tors. theta energy: -71.671
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: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -776.087646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.087646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.087646 (E_RNA)
where:
Base-Base interactions energy: -514.219
where: short stacking energy: -225.984
Base-Backbone interact. energy: -0.492
local terms energy: -261.377334
where:
bonds (distance) C4'-P energy: -64.494
bonds (distance) P-C4' energy: -58.703
flat angles C4'-P-C4' energy: -60.112
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -41.709
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: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -697.129039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.129039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.129039 (E_RNA)
where:
Base-Base interactions energy: -454.676
where: short stacking energy: -179.746
Base-Backbone interact. energy: -1.080
local terms energy: -241.373453
where:
bonds (distance) C4'-P energy: -54.961
bonds (distance) P-C4' energy: -61.510
flat angles C4'-P-C4' energy: -66.983
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -36.261
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: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -584.243977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.243977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.243977 (E_RNA)
where:
Base-Base interactions energy: -351.781
where: short stacking energy: -180.446
Base-Backbone interact. energy: 2.392
local terms energy: -234.854925
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -66.312
flat angles C4'-P-C4' energy: -55.326
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -29.332
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: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1298.823344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.823344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.823344 (E_RNA)
where:
Base-Base interactions energy: -911.758
where: short stacking energy: -389.008
Base-Backbone interact. energy: 7.340
local terms energy: -394.404866
where:
bonds (distance) C4'-P energy: -72.381
bonds (distance) P-C4' energy: -69.385
flat angles C4'-P-C4' energy: -77.325
flat angles P-C4'-P energy: -61.629
tors. eta vs tors. theta energy: -113.685
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: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1189.640900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.640900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.640900 (E_RNA)
where:
Base-Base interactions energy: -820.511
where: short stacking energy: -367.355
Base-Backbone interact. energy: -0.166
local terms energy: -368.963354
where:
bonds (distance) C4'-P energy: -66.951
bonds (distance) P-C4' energy: -63.358
flat angles C4'-P-C4' energy: -85.531
flat angles P-C4'-P energy: -50.529
tors. eta vs tors. theta energy: -102.595
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: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1179.194765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.194765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.194765 (E_RNA)
where:
Base-Base interactions energy: -827.569
where: short stacking energy: -353.717
Base-Backbone interact. energy: 1.373
local terms energy: -352.999221
where:
bonds (distance) C4'-P energy: -65.150
bonds (distance) P-C4' energy: -77.035
flat angles C4'-P-C4' energy: -66.986
flat angles P-C4'-P energy: -52.616
tors. eta vs tors. theta energy: -91.214
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: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1074.413091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.413091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.413091 (E_RNA)
where:
Base-Base interactions energy: -727.658
where: short stacking energy: -297.888
Base-Backbone interact. energy: -2.573
local terms energy: -344.182036
where:
bonds (distance) C4'-P energy: -69.449
bonds (distance) P-C4' energy: -73.764
flat angles C4'-P-C4' energy: -70.402
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: -78.514
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: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1051.152506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.152506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.152506 (E_RNA)
where:
Base-Base interactions energy: -731.879
where: short stacking energy: -309.455
Base-Backbone interact. energy: -1.022
local terms energy: -318.251166
where:
bonds (distance) C4'-P energy: -70.382
bonds (distance) P-C4' energy: -61.659
flat angles C4'-P-C4' energy: -74.495
flat angles P-C4'-P energy: -43.885
tors. eta vs tors. theta energy: -67.830
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: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1048.433337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.433337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.433337 (E_RNA)
where:
Base-Base interactions energy: -725.648
where: short stacking energy: -297.840
Base-Backbone interact. energy: -0.704
local terms energy: -322.081402
where:
bonds (distance) C4'-P energy: -53.519
bonds (distance) P-C4' energy: -76.365
flat angles C4'-P-C4' energy: -68.703
flat angles P-C4'-P energy: -44.538
tors. eta vs tors. theta energy: -78.957
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: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -962.872919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.872919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.872919 (E_RNA)
where:
Base-Base interactions energy: -664.040
where: short stacking energy: -289.854
Base-Backbone interact. energy: 0.741
local terms energy: -299.574136
where:
bonds (distance) C4'-P energy: -61.308
bonds (distance) P-C4' energy: -60.311
flat angles C4'-P-C4' energy: -67.479
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: -70.472
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: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -891.844596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.844596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.844596 (E_RNA)
where:
Base-Base interactions energy: -596.548
where: short stacking energy: -256.108
Base-Backbone interact. energy: -0.307
local terms energy: -294.989668
where:
bonds (distance) C4'-P energy: -52.894
bonds (distance) P-C4' energy: -72.982
flat angles C4'-P-C4' energy: -59.173
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -67.225
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: 36
Temperature: 1.300000
Total energy: -724.412221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.412221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.412221 (E_RNA)
where:
Base-Base interactions energy: -467.720
where: short stacking energy: -212.397
Base-Backbone interact. energy: 1.807
local terms energy: -258.499329
where:
bonds (distance) C4'-P energy: -60.116
bonds (distance) P-C4' energy: -53.046
flat angles C4'-P-C4' energy: -65.697
flat angles P-C4'-P energy: -43.646
tors. eta vs tors. theta energy: -35.995
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: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -545.936980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.936980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.936980 (E_RNA)
where:
Base-Base interactions energy: -311.112
where: short stacking energy: -153.605
Base-Backbone interact. energy: 2.171
local terms energy: -236.996196
where:
bonds (distance) C4'-P energy: -41.098
bonds (distance) P-C4' energy: -64.002
flat angles C4'-P-C4' energy: -66.073
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -19.685
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: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1296.002425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.002425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.002425 (E_RNA)
where:
Base-Base interactions energy: -900.425
where: short stacking energy: -382.630
Base-Backbone interact. energy: -1.856
local terms energy: -393.720787
where:
bonds (distance) C4'-P energy: -76.646
bonds (distance) P-C4' energy: -74.998
flat angles C4'-P-C4' energy: -85.269
flat angles P-C4'-P energy: -50.559
tors. eta vs tors. theta energy: -106.250
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: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1232.756657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.756657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.756657 (E_RNA)
where:
Base-Base interactions energy: -865.983
where: short stacking energy: -384.401
Base-Backbone interact. energy: 2.252
local terms energy: -369.026182
where:
bonds (distance) C4'-P energy: -70.119
bonds (distance) P-C4' energy: -81.653
flat angles C4'-P-C4' energy: -78.910
flat angles P-C4'-P energy: -51.279
tors. eta vs tors. theta energy: -87.066
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: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1162.122775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.122775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.122775 (E_RNA)
where:
Base-Base interactions energy: -787.121
where: short stacking energy: -354.422
Base-Backbone interact. energy: 1.448
local terms energy: -376.449714
where:
bonds (distance) C4'-P energy: -78.151
bonds (distance) P-C4' energy: -76.232
flat angles C4'-P-C4' energy: -82.609
flat angles P-C4'-P energy: -49.649
tors. eta vs tors. theta energy: -89.809
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: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1152.344487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.344487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.344487 (E_RNA)
where:
Base-Base interactions energy: -796.212
where: short stacking energy: -313.572
Base-Backbone interact. energy: -1.896
local terms energy: -354.236306
where:
bonds (distance) C4'-P energy: -67.965
bonds (distance) P-C4' energy: -87.438
flat angles C4'-P-C4' energy: -76.443
flat angles P-C4'-P energy: -46.716
tors. eta vs tors. theta energy: -75.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1052.581388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.581388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.581388 (E_RNA)
where:
Base-Base interactions energy: -727.501
where: short stacking energy: -307.664
Base-Backbone interact. energy: -2.919
local terms energy: -322.161635
where:
bonds (distance) C4'-P energy: -62.371
bonds (distance) P-C4' energy: -59.272
flat angles C4'-P-C4' energy: -76.508
flat angles P-C4'-P energy: -46.190
tors. eta vs tors. theta energy: -77.820
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: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1071.950234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.950234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.950234 (E_RNA)
where:
Base-Base interactions energy: -739.513
where: short stacking energy: -306.728
Base-Backbone interact. energy: -1.867
local terms energy: -330.569835
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -69.966
flat angles C4'-P-C4' energy: -77.236
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -78.192
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: 37
Temperature: 1.200000
Total energy: -916.864342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.864342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.864342 (E_RNA)
where:
Base-Base interactions energy: -625.290
where: short stacking energy: -277.416
Base-Backbone interact. energy: -0.378
local terms energy: -291.196190
where:
bonds (distance) C4'-P energy: -63.618
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -62.664
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -68.819
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: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -905.441139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.441139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.441139 (E_RNA)
where:
Base-Base interactions energy: -604.071
where: short stacking energy: -261.644
Base-Backbone interact. energy: 1.141
local terms energy: -302.511467
where:
bonds (distance) C4'-P energy: -55.873
bonds (distance) P-C4' energy: -74.394
flat angles C4'-P-C4' energy: -69.927
flat angles P-C4'-P energy: -39.249
tors. eta vs tors. theta energy: -63.069
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: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -726.185752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.185752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.185752 (E_RNA)
where:
Base-Base interactions energy: -442.555
where: short stacking energy: -203.199
Base-Backbone interact. energy: -1.194
local terms energy: -282.437033
where:
bonds (distance) C4'-P energy: -58.131
bonds (distance) P-C4' energy: -78.346
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -40.992
tors. eta vs tors. theta energy: -40.692
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: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -542.406422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.406422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.406422 (E_RNA)
where:
Base-Base interactions energy: -332.452
where: short stacking energy: -158.078
Base-Backbone interact. energy: 8.338
local terms energy: -218.292408
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -56.773
flat angles C4'-P-C4' energy: -65.268
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1298.882194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.882194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.882194 (E_RNA)
where:
Base-Base interactions energy: -905.900
where: short stacking energy: -390.493
Base-Backbone interact. energy: -0.736
local terms energy: -392.245993
where:
bonds (distance) C4'-P energy: -67.972
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -86.589
flat angles P-C4'-P energy: -53.496
tors. eta vs tors. theta energy: -107.896
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: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1214.538493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.538493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.538493 (E_RNA)
where:
Base-Base interactions energy: -854.818
where: short stacking energy: -351.685
Base-Backbone interact. energy: 0.017
local terms energy: -359.737715
where:
bonds (distance) C4'-P energy: -70.135
bonds (distance) P-C4' energy: -71.614
flat angles C4'-P-C4' energy: -77.277
flat angles P-C4'-P energy: -46.071
tors. eta vs tors. theta energy: -94.640
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: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1172.188753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.188753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.188753 (E_RNA)
where:
Base-Base interactions energy: -805.439
where: short stacking energy: -363.714
Base-Backbone interact. energy: -1.489
local terms energy: -365.259914
where:
bonds (distance) C4'-P energy: -62.062
bonds (distance) P-C4' energy: -69.335
flat angles C4'-P-C4' energy: -85.198
flat angles P-C4'-P energy: -52.460
tors. eta vs tors. theta energy: -96.204
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: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1157.017699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.017699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.017699 (E_RNA)
where:
Base-Base interactions energy: -815.103
where: short stacking energy: -337.970
Base-Backbone interact. energy: -1.951
local terms energy: -339.963077
where:
bonds (distance) C4'-P energy: -64.657
bonds (distance) P-C4' energy: -67.088
flat angles C4'-P-C4' energy: -75.063
flat angles P-C4'-P energy: -48.341
tors. eta vs tors. theta energy: -84.814
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: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1068.883997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.883997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.883997 (E_RNA)
where:
Base-Base interactions energy: -751.833
where: short stacking energy: -316.864
Base-Backbone interact. energy: -0.037
local terms energy: -317.013952
where:
bonds (distance) C4'-P energy: -70.288
bonds (distance) P-C4' energy: -57.224
flat angles C4'-P-C4' energy: -74.505
flat angles P-C4'-P energy: -39.104
tors. eta vs tors. theta energy: -75.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1068.376155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.376155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.376155 (E_RNA)
where:
Base-Base interactions energy: -741.067
where: short stacking energy: -301.279
Base-Backbone interact. energy: 0.270
local terms energy: -327.579731
where:
bonds (distance) C4'-P energy: -60.833
bonds (distance) P-C4' energy: -70.482
flat angles C4'-P-C4' energy: -72.436
flat angles P-C4'-P energy: -38.809
tors. eta vs tors. theta energy: -85.019
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: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1025.355318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.355318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.355318 (E_RNA)
where:
Base-Base interactions energy: -691.802
where: short stacking energy: -329.420
Base-Backbone interact. energy: -1.734
local terms energy: -331.819052
where:
bonds (distance) C4'-P energy: -55.612
bonds (distance) P-C4' energy: -68.091
flat angles C4'-P-C4' energy: -81.899
flat angles P-C4'-P energy: -38.702
tors. eta vs tors. theta energy: -87.515
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: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -833.562274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.562274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.562274 (E_RNA)
where:
Base-Base interactions energy: -562.482
where: short stacking energy: -243.305
Base-Backbone interact. energy: -1.256
local terms energy: -269.824254
where:
bonds (distance) C4'-P energy: -56.026
bonds (distance) P-C4' energy: -68.216
flat angles C4'-P-C4' energy: -65.670
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: -55.904
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: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -733.790579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.790579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.790579 (E_RNA)
where:
Base-Base interactions energy: -478.518
where: short stacking energy: -214.430
Base-Backbone interact. energy: -2.696
local terms energy: -252.576617
where:
bonds (distance) C4'-P energy: -55.568
bonds (distance) P-C4' energy: -65.246
flat angles C4'-P-C4' energy: -53.504
flat angles P-C4'-P energy: -39.198
tors. eta vs tors. theta energy: -39.061
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: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -563.680050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.680050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.680050 (E_RNA)
where:
Base-Base interactions energy: -353.587
where: short stacking energy: -179.051
Base-Backbone interact. energy: -1.282
local terms energy: -208.810797
where:
bonds (distance) C4'-P energy: -45.058
bonds (distance) P-C4' energy: -53.988
flat angles C4'-P-C4' energy: -61.200
flat angles P-C4'-P energy: -30.516
tors. eta vs tors. theta energy: -18.048
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: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1306.917758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.917758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.917758 (E_RNA)
where:
Base-Base interactions energy: -902.894
where: short stacking energy: -387.809
Base-Backbone interact. energy: -2.481
local terms energy: -401.543384
where:
bonds (distance) C4'-P energy: -85.059
bonds (distance) P-C4' energy: -75.453
flat angles C4'-P-C4' energy: -83.308
flat angles P-C4'-P energy: -51.015
tors. eta vs tors. theta energy: -106.709
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: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1228.328670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.328670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.328670 (E_RNA)
where:
Base-Base interactions energy: -872.657
where: short stacking energy: -348.078
Base-Backbone interact. energy: -2.584
local terms energy: -353.088230
where:
bonds (distance) C4'-P energy: -55.090
bonds (distance) P-C4' energy: -64.594
flat angles C4'-P-C4' energy: -79.364
flat angles P-C4'-P energy: -60.660
tors. eta vs tors. theta energy: -93.379
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: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1157.236233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.236233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.236233 (E_RNA)
where:
Base-Base interactions energy: -798.044
where: short stacking energy: -362.226
Base-Backbone interact. energy: 0.125
local terms energy: -359.317363
where:
bonds (distance) C4'-P energy: -64.272
bonds (distance) P-C4' energy: -71.572
flat angles C4'-P-C4' energy: -79.441
flat angles P-C4'-P energy: -47.367
tors. eta vs tors. theta energy: -96.665
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: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1159.883448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.883448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.883448 (E_RNA)
where:
Base-Base interactions energy: -820.339
where: short stacking energy: -330.765
Base-Backbone interact. energy: -0.814
local terms energy: -338.729859
where:
bonds (distance) C4'-P energy: -71.504
bonds (distance) P-C4' energy: -62.894
flat angles C4'-P-C4' energy: -73.744
flat angles P-C4'-P energy: -45.363
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: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1080.788964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.788964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.788964 (E_RNA)
where:
Base-Base interactions energy: -735.060
where: short stacking energy: -305.967
Base-Backbone interact. energy: -1.357
local terms energy: -344.372126
where:
bonds (distance) C4'-P energy: -63.007
bonds (distance) P-C4' energy: -70.672
flat angles C4'-P-C4' energy: -72.650
flat angles P-C4'-P energy: -55.201
tors. eta vs tors. theta energy: -82.843
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: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1090.842791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.842791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.842791 (E_RNA)
where:
Base-Base interactions energy: -761.097
where: short stacking energy: -337.502
Base-Backbone interact. energy: -0.623
local terms energy: -329.122437
where:
bonds (distance) C4'-P energy: -50.198
bonds (distance) P-C4' energy: -61.248
flat angles C4'-P-C4' energy: -76.334
flat angles P-C4'-P energy: -46.026
tors. eta vs tors. theta energy: -95.317
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: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -937.381655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.381655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.381655 (E_RNA)
where:
Base-Base interactions energy: -651.150
where: short stacking energy: -287.049
Base-Backbone interact. energy: 1.822
local terms energy: -288.053969
where:
bonds (distance) C4'-P energy: -57.021
bonds (distance) P-C4' energy: -54.551
flat angles C4'-P-C4' energy: -71.800
flat angles P-C4'-P energy: -35.394
tors. eta vs tors. theta energy: -69.288
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: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -762.386182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.386182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.386182 (E_RNA)
where:
Base-Base interactions energy: -495.302
where: short stacking energy: -212.019
Base-Backbone interact. energy: 3.138
local terms energy: -270.221705
where:
bonds (distance) C4'-P energy: -55.661
bonds (distance) P-C4' energy: -53.769
flat angles C4'-P-C4' energy: -71.708
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -53.505
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: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -788.089184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.089184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.089184 (E_RNA)
where:
Base-Base interactions energy: -519.919
where: short stacking energy: -225.157
Base-Backbone interact. energy: -0.899
local terms energy: -267.270532
where:
bonds (distance) C4'-P energy: -47.090
bonds (distance) P-C4' energy: -58.124
flat angles C4'-P-C4' energy: -72.559
flat angles P-C4'-P energy: -43.412
tors. eta vs tors. theta energy: -46.086
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: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -518.096600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.096600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.096600 (E_RNA)
where:
Base-Base interactions energy: -280.760
where: short stacking energy: -130.244
Base-Backbone interact. energy: -1.721
local terms energy: -235.614916
where:
bonds (distance) C4'-P energy: -71.049
bonds (distance) P-C4' energy: -56.126
flat angles C4'-P-C4' energy: -57.965
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: -16.861
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: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1284.060634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.060634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.060634 (E_RNA)
where:
Base-Base interactions energy: -903.386
where: short stacking energy: -372.050
Base-Backbone interact. energy: -0.752
local terms energy: -379.922408
where:
bonds (distance) C4'-P energy: -74.644
bonds (distance) P-C4' energy: -67.927
flat angles C4'-P-C4' energy: -82.812
flat angles P-C4'-P energy: -52.263
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: 40
Temperature: 0.950000
Total energy: -1226.937856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.937856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.937856 (E_RNA)
where:
Base-Base interactions energy: -841.183
where: short stacking energy: -355.099
Base-Backbone interact. energy: -2.420
local terms energy: -383.335054
where:
bonds (distance) C4'-P energy: -77.312
bonds (distance) P-C4' energy: -80.304
flat angles C4'-P-C4' energy: -78.718
flat angles P-C4'-P energy: -53.894
tors. eta vs tors. theta energy: -93.108
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: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1173.770185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.770185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.770185 (E_RNA)
where:
Base-Base interactions energy: -839.374
where: short stacking energy: -332.702
Base-Backbone interact. energy: -0.690
local terms energy: -333.706415
where:
bonds (distance) C4'-P energy: -60.918
bonds (distance) P-C4' energy: -79.429
flat angles C4'-P-C4' energy: -72.105
flat angles P-C4'-P energy: -40.470
tors. eta vs tors. theta energy: -80.784
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: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1142.994322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.994322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.994322 (E_RNA)
where:
Base-Base interactions energy: -794.091
where: short stacking energy: -340.119
Base-Backbone interact. energy: 1.388
local terms energy: -350.291089
where:
bonds (distance) C4'-P energy: -67.745
bonds (distance) P-C4' energy: -72.523
flat angles C4'-P-C4' energy: -79.172
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -87.283
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: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1060.664619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.664619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.664619 (E_RNA)
where:
Base-Base interactions energy: -737.717
where: short stacking energy: -293.857
Base-Backbone interact. energy: 0.348
local terms energy: -323.296158
where:
bonds (distance) C4'-P energy: -70.032
bonds (distance) P-C4' energy: -73.447
flat angles C4'-P-C4' energy: -76.038
flat angles P-C4'-P energy: -34.494
tors. eta vs tors. theta energy: -69.284
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: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1043.533653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.533653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.533653 (E_RNA)
where:
Base-Base interactions energy: -703.080
where: short stacking energy: -289.867
Base-Backbone interact. energy: -1.872
local terms energy: -338.582247
where:
bonds (distance) C4'-P energy: -58.025
bonds (distance) P-C4' energy: -78.626
flat angles C4'-P-C4' energy: -76.106
flat angles P-C4'-P energy: -48.786
tors. eta vs tors. theta energy: -77.039
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: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -967.703673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.703673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.703673 (E_RNA)
where:
Base-Base interactions energy: -637.154
where: short stacking energy: -287.332
Base-Backbone interact. energy: -0.758
local terms energy: -329.792044
where:
bonds (distance) C4'-P energy: -65.843
bonds (distance) P-C4' energy: -62.643
flat angles C4'-P-C4' energy: -70.434
flat angles P-C4'-P energy: -45.766
tors. eta vs tors. theta energy: -85.107
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: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -767.806921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.806921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.806921 (E_RNA)
where:
Base-Base interactions energy: -493.484
where: short stacking energy: -224.584
Base-Backbone interact. energy: -0.130
local terms energy: -274.192351
where:
bonds (distance) C4'-P energy: -71.820
bonds (distance) P-C4' energy: -55.988
flat angles C4'-P-C4' energy: -57.872
flat angles P-C4'-P energy: -43.175
tors. eta vs tors. theta energy: -45.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -760.501396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.501396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.501396 (E_RNA)
where:
Base-Base interactions energy: -503.433
where: short stacking energy: -216.326
Base-Backbone interact. energy: 2.086
local terms energy: -259.154773
where:
bonds (distance) C4'-P energy: -51.693
bonds (distance) P-C4' energy: -62.911
flat angles C4'-P-C4' energy: -58.468
flat angles P-C4'-P energy: -39.347
tors. eta vs tors. theta energy: -46.735
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: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -507.246644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.246644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.246644 (E_RNA)
where:
Base-Base interactions energy: -281.043
where: short stacking energy: -143.582
Base-Backbone interact. energy: 0.670
local terms energy: -226.873191
where:
bonds (distance) C4'-P energy: -48.377
bonds (distance) P-C4' energy: -53.496
flat angles C4'-P-C4' energy: -66.054
flat angles P-C4'-P energy: -32.676
tors. eta vs tors. theta energy: -26.271
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: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1297.297176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.297176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.297176 (E_RNA)
where:
Base-Base interactions energy: -924.117
where: short stacking energy: -408.595
Base-Backbone interact. energy: -1.562
local terms energy: -371.618655
where:
bonds (distance) C4'-P energy: -69.564
bonds (distance) P-C4' energy: -69.178
flat angles C4'-P-C4' energy: -82.075
flat angles P-C4'-P energy: -38.003
tors. eta vs tors. theta energy: -112.798
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: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1247.581290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.581290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.581290 (E_RNA)
where:
Base-Base interactions energy: -883.053
where: short stacking energy: -367.593
Base-Backbone interact. energy: -2.269
local terms energy: -362.259452
where:
bonds (distance) C4'-P energy: -71.016
bonds (distance) P-C4' energy: -78.718
flat angles C4'-P-C4' energy: -71.991
flat angles P-C4'-P energy: -52.054
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: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1179.020939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.020939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.020939 (E_RNA)
where:
Base-Base interactions energy: -841.649
where: short stacking energy: -328.092
Base-Backbone interact. energy: -1.776
local terms energy: -335.595772
where:
bonds (distance) C4'-P energy: -59.649
bonds (distance) P-C4' energy: -76.665
flat angles C4'-P-C4' energy: -79.019
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -80.341
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: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1151.690938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.690938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.690938 (E_RNA)
where:
Base-Base interactions energy: -814.178
where: short stacking energy: -340.686
Base-Backbone interact. energy: -2.397
local terms energy: -335.116176
where:
bonds (distance) C4'-P energy: -60.117
bonds (distance) P-C4' energy: -57.247
flat angles C4'-P-C4' energy: -80.809
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: -93.561
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: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1087.914927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.914927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.914927 (E_RNA)
where:
Base-Base interactions energy: -732.098
where: short stacking energy: -326.637
Base-Backbone interact. energy: -5.298
local terms energy: -350.518796
where:
bonds (distance) C4'-P energy: -71.802
bonds (distance) P-C4' energy: -74.238
flat angles C4'-P-C4' energy: -72.924
flat angles P-C4'-P energy: -54.590
tors. eta vs tors. theta energy: -76.964
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: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1043.613820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.613820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.613820 (E_RNA)
where:
Base-Base interactions energy: -713.079
where: short stacking energy: -303.769
Base-Backbone interact. energy: -1.741
local terms energy: -328.793918
where:
bonds (distance) C4'-P energy: -66.352
bonds (distance) P-C4' energy: -72.751
flat angles C4'-P-C4' energy: -65.627
flat angles P-C4'-P energy: -49.673
tors. eta vs tors. theta energy: -74.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -928.404902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.404902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.404902 (E_RNA)
where:
Base-Base interactions energy: -627.900
where: short stacking energy: -277.244
Base-Backbone interact. energy: 2.600
local terms energy: -303.104857
where:
bonds (distance) C4'-P energy: -62.535
bonds (distance) P-C4' energy: -53.626
flat angles C4'-P-C4' energy: -72.871
flat angles P-C4'-P energy: -50.129
tors. eta vs tors. theta energy: -63.944
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: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -812.695988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.695988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.695988 (E_RNA)
where:
Base-Base interactions energy: -527.893
where: short stacking energy: -251.583
Base-Backbone interact. energy: 0.320
local terms energy: -285.122530
where:
bonds (distance) C4'-P energy: -60.124
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -79.673
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -56.278
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: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -727.215896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.215896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.215896 (E_RNA)
where:
Base-Base interactions energy: -451.766
where: short stacking energy: -193.675
Base-Backbone interact. energy: 3.895
local terms energy: -279.344880
where:
bonds (distance) C4'-P energy: -61.214
bonds (distance) P-C4' energy: -68.625
flat angles C4'-P-C4' energy: -68.030
flat angles P-C4'-P energy: -45.687
tors. eta vs tors. theta energy: -35.788
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: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -555.433548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.433548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.433548 (E_RNA)
where:
Base-Base interactions energy: -319.684
where: short stacking energy: -149.904
Base-Backbone interact. energy: 0.651
local terms energy: -236.400338
where:
bonds (distance) C4'-P energy: -52.842
bonds (distance) P-C4' energy: -65.088
flat angles C4'-P-C4' energy: -59.897
flat angles P-C4'-P energy: -40.140
tors. eta vs tors. theta energy: -18.433
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1310.524637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.524637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.524637 (E_RNA)
where:
Base-Base interactions energy: -914.955
where: short stacking energy: -414.070
Base-Backbone interact. energy: -2.313
local terms energy: -393.256548
where:
bonds (distance) C4'-P energy: -74.784
bonds (distance) P-C4' energy: -71.796
flat angles C4'-P-C4' energy: -77.631
flat angles P-C4'-P energy: -54.298
tors. eta vs tors. theta energy: -114.748
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: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1231.883533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.883533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.883533 (E_RNA)
where:
Base-Base interactions energy: -873.445
where: short stacking energy: -339.871
Base-Backbone interact. energy: -0.339
local terms energy: -358.099979
where:
bonds (distance) C4'-P energy: -66.628
bonds (distance) P-C4' energy: -67.359
flat angles C4'-P-C4' energy: -85.731
flat angles P-C4'-P energy: -52.327
tors. eta vs tors. theta energy: -86.055
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: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1214.486097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.486097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.486097 (E_RNA)
where:
Base-Base interactions energy: -852.554
where: short stacking energy: -339.738
Base-Backbone interact. energy: 0.621
local terms energy: -362.553376
where:
bonds (distance) C4'-P energy: -75.034
bonds (distance) P-C4' energy: -70.481
flat angles C4'-P-C4' energy: -82.015
flat angles P-C4'-P energy: -43.594
tors. eta vs tors. theta energy: -91.429
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: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1118.414808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.414808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.414808 (E_RNA)
where:
Base-Base interactions energy: -788.367
where: short stacking energy: -339.699
Base-Backbone interact. energy: -0.962
local terms energy: -329.086087
where:
bonds (distance) C4'-P energy: -61.722
bonds (distance) P-C4' energy: -68.073
flat angles C4'-P-C4' energy: -80.513
flat angles P-C4'-P energy: -39.020
tors. eta vs tors. theta energy: -79.758
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: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1098.973661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.973661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.973661 (E_RNA)
where:
Base-Base interactions energy: -781.514
where: short stacking energy: -300.468
Base-Backbone interact. energy: 0.157
local terms energy: -317.616594
where:
bonds (distance) C4'-P energy: -55.970
bonds (distance) P-C4' energy: -58.496
flat angles C4'-P-C4' energy: -79.292
flat angles P-C4'-P energy: -48.493
tors. eta vs tors. theta energy: -75.365
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: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1051.770991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.770991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.770991 (E_RNA)
where:
Base-Base interactions energy: -720.386
where: short stacking energy: -308.414
Base-Backbone interact. energy: -1.266
local terms energy: -330.119029
where:
bonds (distance) C4'-P energy: -66.808
bonds (distance) P-C4' energy: -63.729
flat angles C4'-P-C4' energy: -77.471
flat angles P-C4'-P energy: -45.793
tors. eta vs tors. theta energy: -76.317
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: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -936.186509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.186509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.186509 (E_RNA)
where:
Base-Base interactions energy: -627.666
where: short stacking energy: -279.044
Base-Backbone interact. energy: 0.866
local terms energy: -309.386477
where:
bonds (distance) C4'-P energy: -65.812
bonds (distance) P-C4' energy: -64.679
flat angles C4'-P-C4' energy: -73.295
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: -64.025
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: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -816.614235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.614235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.614235 (E_RNA)
where:
Base-Base interactions energy: -544.726
where: short stacking energy: -248.065
Base-Backbone interact. energy: 0.281
local terms energy: -272.168377
where:
bonds (distance) C4'-P energy: -62.279
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -55.642
flat angles P-C4'-P energy: -39.968
tors. eta vs tors. theta energy: -51.807
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: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -595.916890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.916890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.916890 (E_RNA)
where:
Base-Base interactions energy: -349.092
where: short stacking energy: -169.613
Base-Backbone interact. energy: -1.231
local terms energy: -245.594438
where:
bonds (distance) C4'-P energy: -48.903
bonds (distance) P-C4' energy: -63.368
flat angles C4'-P-C4' energy: -67.900
flat angles P-C4'-P energy: -50.594
tors. eta vs tors. theta energy: -14.830
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: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -665.734653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.734653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.734653 (E_RNA)
where:
Base-Base interactions energy: -428.250
where: short stacking energy: -173.405
Base-Backbone interact. energy: -2.882
local terms energy: -234.602392
where:
bonds (distance) C4'-P energy: -68.512
bonds (distance) P-C4' energy: -62.698
flat angles C4'-P-C4' energy: -52.574
flat angles P-C4'-P energy: -36.331
tors. eta vs tors. theta energy: -14.487
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: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1331.605678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.605678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.605678 (E_RNA)
where:
Base-Base interactions energy: -923.759
where: short stacking energy: -401.770
Base-Backbone interact. energy: -1.580
local terms energy: -406.265929
where:
bonds (distance) C4'-P energy: -75.162
bonds (distance) P-C4' energy: -87.607
flat angles C4'-P-C4' energy: -77.124
flat angles P-C4'-P energy: -51.471
tors. eta vs tors. theta energy: -114.902
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: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1257.595074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.595074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.595074 (E_RNA)
where:
Base-Base interactions energy: -891.688
where: short stacking energy: -335.652
Base-Backbone interact. energy: -0.749
local terms energy: -365.158062
where:
bonds (distance) C4'-P energy: -82.613
bonds (distance) P-C4' energy: -76.522
flat angles C4'-P-C4' energy: -71.833
flat angles P-C4'-P energy: -52.465
tors. eta vs tors. theta energy: -81.725
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: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1198.232899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.232899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.232899 (E_RNA)
where:
Base-Base interactions energy: -845.006
where: short stacking energy: -336.684
Base-Backbone interact. energy: -1.728
local terms energy: -351.499284
where:
bonds (distance) C4'-P energy: -63.974
bonds (distance) P-C4' energy: -76.556
flat angles C4'-P-C4' energy: -69.279
flat angles P-C4'-P energy: -51.904
tors. eta vs tors. theta energy: -89.787
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: 43
Temperature: 1.050000
Total energy: -1107.161546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.161546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.161546 (E_RNA)
where:
Base-Base interactions energy: -757.987
where: short stacking energy: -298.053
Base-Backbone interact. energy: -0.462
local terms energy: -348.712426
where:
bonds (distance) C4'-P energy: -59.891
bonds (distance) P-C4' energy: -72.719
flat angles C4'-P-C4' energy: -81.245
flat angles P-C4'-P energy: -56.569
tors. eta vs tors. theta energy: -78.288
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: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1121.690322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.690322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.690322 (E_RNA)
where:
Base-Base interactions energy: -762.053
where: short stacking energy: -316.872
Base-Backbone interact. energy: 0.704
local terms energy: -360.341889
where:
bonds (distance) C4'-P energy: -72.574
bonds (distance) P-C4' energy: -76.249
flat angles C4'-P-C4' energy: -81.936
flat angles P-C4'-P energy: -44.353
tors. eta vs tors. theta energy: -85.229
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: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1017.222008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.222008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.222008 (E_RNA)
where:
Base-Base interactions energy: -704.517
where: short stacking energy: -285.285
Base-Backbone interact. energy: 0.052
local terms energy: -312.757146
where:
bonds (distance) C4'-P energy: -60.026
bonds (distance) P-C4' energy: -70.156
flat angles C4'-P-C4' energy: -75.561
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -65.819
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: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -954.496616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.496616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.496616 (E_RNA)
where:
Base-Base interactions energy: -646.619
where: short stacking energy: -301.597
Base-Backbone interact. energy: -0.621
local terms energy: -307.256456
where:
bonds (distance) C4'-P energy: -55.322
bonds (distance) P-C4' energy: -67.964
flat angles C4'-P-C4' energy: -63.576
flat angles P-C4'-P energy: -48.763
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: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -857.380944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.380944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.380944 (E_RNA)
where:
Base-Base interactions energy: -563.546
where: short stacking energy: -248.893
Base-Backbone interact. energy: 0.187
local terms energy: -294.022051
where:
bonds (distance) C4'-P energy: -49.074
bonds (distance) P-C4' energy: -72.753
flat angles C4'-P-C4' energy: -68.724
flat angles P-C4'-P energy: -43.104
tors. eta vs tors. theta energy: -60.368
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: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -556.773753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.773753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.773753 (E_RNA)
where:
Base-Base interactions energy: -339.888
where: short stacking energy: -174.335
Base-Backbone interact. energy: 3.718
local terms energy: -220.604194
where:
bonds (distance) C4'-P energy: -61.467
bonds (distance) P-C4' energy: -59.114
flat angles C4'-P-C4' energy: -51.843
flat angles P-C4'-P energy: -35.066
tors. eta vs tors. theta energy: -13.115
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: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -736.353980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.353980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.353980 (E_RNA)
where:
Base-Base interactions energy: -492.447
where: short stacking energy: -219.475
Base-Backbone interact. energy: -2.889
local terms energy: -241.017941
where:
bonds (distance) C4'-P energy: -50.595
bonds (distance) P-C4' energy: -61.561
flat angles C4'-P-C4' energy: -60.767
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -35.321
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: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1335.114243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.114243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.114243 (E_RNA)
where:
Base-Base interactions energy: -929.551
where: short stacking energy: -406.083
Base-Backbone interact. energy: -0.417
local terms energy: -405.145388
where:
bonds (distance) C4'-P energy: -67.963
bonds (distance) P-C4' energy: -77.084
flat angles C4'-P-C4' energy: -87.562
flat angles P-C4'-P energy: -59.820
tors. eta vs tors. theta energy: -112.717
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: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1251.021702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.021702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.021702 (E_RNA)
where:
Base-Base interactions energy: -885.251
where: short stacking energy: -341.913
Base-Backbone interact. energy: -1.419
local terms energy: -364.351410
where:
bonds (distance) C4'-P energy: -79.450
bonds (distance) P-C4' energy: -70.578
flat angles C4'-P-C4' energy: -73.734
flat angles P-C4'-P energy: -52.418
tors. eta vs tors. theta energy: -88.172
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: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1180.156336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.156336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.156336 (E_RNA)
where:
Base-Base interactions energy: -829.965
where: short stacking energy: -332.619
Base-Backbone interact. energy: -0.646
local terms energy: -349.545527
where:
bonds (distance) C4'-P energy: -66.247
bonds (distance) P-C4' energy: -80.308
flat angles C4'-P-C4' energy: -72.433
flat angles P-C4'-P energy: -49.386
tors. eta vs tors. theta energy: -81.171
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: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1147.386455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.386455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.386455 (E_RNA)
where:
Base-Base interactions energy: -810.056
where: short stacking energy: -327.909
Base-Backbone interact. energy: 0.377
local terms energy: -337.707093
where:
bonds (distance) C4'-P energy: -69.743
bonds (distance) P-C4' energy: -64.080
flat angles C4'-P-C4' energy: -66.630
flat angles P-C4'-P energy: -57.327
tors. eta vs tors. theta energy: -79.927
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: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1087.857753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.857753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.857753 (E_RNA)
where:
Base-Base interactions energy: -744.721
where: short stacking energy: -345.550
Base-Backbone interact. energy: 4.369
local terms energy: -347.505413
where:
bonds (distance) C4'-P energy: -63.454
bonds (distance) P-C4' energy: -71.768
flat angles C4'-P-C4' energy: -74.240
flat angles P-C4'-P energy: -50.181
tors. eta vs tors. theta energy: -87.862
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: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1031.001828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.001828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.001828 (E_RNA)
where:
Base-Base interactions energy: -724.415
where: short stacking energy: -316.728
Base-Backbone interact. energy: -1.800
local terms energy: -304.786994
where:
bonds (distance) C4'-P energy: -54.042
bonds (distance) P-C4' energy: -66.740
flat angles C4'-P-C4' energy: -68.923
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -78.489
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: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -944.972327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.972327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.972327 (E_RNA)
where:
Base-Base interactions energy: -638.050
where: short stacking energy: -279.324
Base-Backbone interact. energy: -1.809
local terms energy: -305.113728
where:
bonds (distance) C4'-P energy: -59.546
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -63.042
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -68.809
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: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -866.537011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.537011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.537011 (E_RNA)
where:
Base-Base interactions energy: -564.055
where: short stacking energy: -246.800
Base-Backbone interact. energy: -0.947
local terms energy: -301.534132
where:
bonds (distance) C4'-P energy: -65.066
bonds (distance) P-C4' energy: -64.644
flat angles C4'-P-C4' energy: -63.669
flat angles P-C4'-P energy: -48.603
tors. eta vs tors. theta energy: -59.552
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: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -744.429113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.429113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.429113 (E_RNA)
where:
Base-Base interactions energy: -479.355
where: short stacking energy: -213.060
Base-Backbone interact. energy: -1.090
local terms energy: -263.984145
where:
bonds (distance) C4'-P energy: -59.703
bonds (distance) P-C4' energy: -60.840
flat angles C4'-P-C4' energy: -67.806
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: -36.996
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: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -492.240808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.240808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.240808 (E_RNA)
where:
Base-Base interactions energy: -272.184
where: short stacking energy: -129.166
Base-Backbone interact. energy: 2.224
local terms energy: -222.281002
where:
bonds (distance) C4'-P energy: -62.764
bonds (distance) P-C4' energy: -65.264
flat angles C4'-P-C4' energy: -51.014
flat angles P-C4'-P energy: -37.116
tors. eta vs tors. theta energy: -6.123
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: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1331.278670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.278670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.278670 (E_RNA)
where:
Base-Base interactions energy: -926.234
where: short stacking energy: -409.537
Base-Backbone interact. energy: 2.027
local terms energy: -407.071913
where:
bonds (distance) C4'-P energy: -77.104
bonds (distance) P-C4' energy: -71.560
flat angles C4'-P-C4' energy: -88.606
flat angles P-C4'-P energy: -57.969
tors. eta vs tors. theta energy: -111.832
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: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1255.524750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.524750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.524750 (E_RNA)
where:
Base-Base interactions energy: -875.261
where: short stacking energy: -359.830
Base-Backbone interact. energy: -1.688
local terms energy: -378.575861
where:
bonds (distance) C4'-P energy: -75.247
bonds (distance) P-C4' energy: -74.138
flat angles C4'-P-C4' energy: -82.759
flat angles P-C4'-P energy: -51.999
tors. eta vs tors. theta energy: -94.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1183.877461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.877461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.877461 (E_RNA)
where:
Base-Base interactions energy: -833.617
where: short stacking energy: -349.336
Base-Backbone interact. energy: -2.511
local terms energy: -347.749524
where:
bonds (distance) C4'-P energy: -72.673
bonds (distance) P-C4' energy: -63.936
flat angles C4'-P-C4' energy: -79.457
flat angles P-C4'-P energy: -42.904
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: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1122.156398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.156398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.156398 (E_RNA)
where:
Base-Base interactions energy: -789.268
where: short stacking energy: -320.472
Base-Backbone interact. energy: -0.302
local terms energy: -332.586072
where:
bonds (distance) C4'-P energy: -70.560
bonds (distance) P-C4' energy: -65.969
flat angles C4'-P-C4' energy: -72.105
flat angles P-C4'-P energy: -46.585
tors. eta vs tors. theta energy: -77.367
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: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1108.562878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.562878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.562878 (E_RNA)
where:
Base-Base interactions energy: -789.506
where: short stacking energy: -346.412
Base-Backbone interact. energy: 0.693
local terms energy: -319.749164
where:
bonds (distance) C4'-P energy: -69.045
bonds (distance) P-C4' energy: -67.204
flat angles C4'-P-C4' energy: -74.322
flat angles P-C4'-P energy: -38.939
tors. eta vs tors. theta energy: -70.240
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: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1035.098294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.098294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.098294 (E_RNA)
where:
Base-Base interactions energy: -686.879
where: short stacking energy: -301.118
Base-Backbone interact. energy: -1.391
local terms energy: -346.828272
where:
bonds (distance) C4'-P energy: -68.624
bonds (distance) P-C4' energy: -62.854
flat angles C4'-P-C4' energy: -79.726
flat angles P-C4'-P energy: -48.307
tors. eta vs tors. theta energy: -87.318
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: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -986.454161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.454161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.454161 (E_RNA)
where:
Base-Base interactions energy: -655.186
where: short stacking energy: -297.810
Base-Backbone interact. energy: 1.201
local terms energy: -332.469021
where:
bonds (distance) C4'-P energy: -71.970
bonds (distance) P-C4' energy: -61.779
flat angles C4'-P-C4' energy: -59.857
flat angles P-C4'-P energy: -52.023
tors. eta vs tors. theta energy: -86.840
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: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -906.539112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.539112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.539112 (E_RNA)
where:
Base-Base interactions energy: -588.205
where: short stacking energy: -268.008
Base-Backbone interact. energy: -1.991
local terms energy: -316.343394
where:
bonds (distance) C4'-P energy: -56.119
bonds (distance) P-C4' energy: -66.381
flat angles C4'-P-C4' energy: -65.065
flat angles P-C4'-P energy: -60.341
tors. eta vs tors. theta energy: -68.439
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: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -738.817418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.817418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.817418 (E_RNA)
where:
Base-Base interactions energy: -467.838
where: short stacking energy: -213.256
Base-Backbone interact. energy: -2.826
local terms energy: -268.153484
where:
bonds (distance) C4'-P energy: -59.243
bonds (distance) P-C4' energy: -60.614
flat angles C4'-P-C4' energy: -66.335
flat angles P-C4'-P energy: -46.134
tors. eta vs tors. theta energy: -35.828
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: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -470.116684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.116684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.116684 (E_RNA)
where:
Base-Base interactions energy: -272.841
where: short stacking energy: -132.433
Base-Backbone interact. energy: 6.290
local terms energy: -203.565773
where:
bonds (distance) C4'-P energy: -62.558
bonds (distance) P-C4' energy: -69.420
flat angles C4'-P-C4' energy: -61.846
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: 2.046
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: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1317.160785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.160785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.160785 (E_RNA)
where:
Base-Base interactions energy: -917.689
where: short stacking energy: -400.988
Base-Backbone interact. energy: -3.353
local terms energy: -396.119210
where:
bonds (distance) C4'-P energy: -74.366
bonds (distance) P-C4' energy: -68.797
flat angles C4'-P-C4' energy: -91.010
flat angles P-C4'-P energy: -53.748
tors. eta vs tors. theta energy: -108.198
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: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1221.315334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.315334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.315334 (E_RNA)
where:
Base-Base interactions energy: -861.890
where: short stacking energy: -355.334
Base-Backbone interact. energy: -2.540
local terms energy: -356.885663
where:
bonds (distance) C4'-P energy: -68.039
bonds (distance) P-C4' energy: -60.622
flat angles C4'-P-C4' energy: -81.740
flat angles P-C4'-P energy: -55.164
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: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1167.691065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.691065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.691065 (E_RNA)
where:
Base-Base interactions energy: -831.245
where: short stacking energy: -337.481
Base-Backbone interact. energy: -3.253
local terms energy: -333.193218
where:
bonds (distance) C4'-P energy: -73.314
bonds (distance) P-C4' energy: -64.752
flat angles C4'-P-C4' energy: -72.245
flat angles P-C4'-P energy: -40.997
tors. eta vs tors. theta energy: -81.884
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: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1113.810245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.810245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.810245 (E_RNA)
where:
Base-Base interactions energy: -762.499
where: short stacking energy: -310.949
Base-Backbone interact. energy: -1.607
local terms energy: -349.703721
where:
bonds (distance) C4'-P energy: -79.054
bonds (distance) P-C4' energy: -71.225
flat angles C4'-P-C4' energy: -69.154
flat angles P-C4'-P energy: -57.436
tors. eta vs tors. theta energy: -72.834
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: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1098.969455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.969455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.969455 (E_RNA)
where:
Base-Base interactions energy: -757.481
where: short stacking energy: -321.536
Base-Backbone interact. energy: -0.742
local terms energy: -340.746863
where:
bonds (distance) C4'-P energy: -59.069
bonds (distance) P-C4' energy: -65.152
flat angles C4'-P-C4' energy: -79.722
flat angles P-C4'-P energy: -47.701
tors. eta vs tors. theta energy: -89.104
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: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1076.569539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.569539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.569539 (E_RNA)
where:
Base-Base interactions energy: -755.653
where: short stacking energy: -329.894
Base-Backbone interact. energy: -0.148
local terms energy: -320.768468
where:
bonds (distance) C4'-P energy: -49.186
bonds (distance) P-C4' energy: -71.243
flat angles C4'-P-C4' energy: -74.039
flat angles P-C4'-P energy: -40.063
tors. eta vs tors. theta energy: -86.237
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: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -980.954496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.954496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.954496 (E_RNA)
where:
Base-Base interactions energy: -654.498
where: short stacking energy: -282.094
Base-Backbone interact. energy: -0.645
local terms energy: -325.811878
where:
bonds (distance) C4'-P energy: -61.020
bonds (distance) P-C4' energy: -68.237
flat angles C4'-P-C4' energy: -73.555
flat angles P-C4'-P energy: -45.580
tors. eta vs tors. theta energy: -77.420
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: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -878.086322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.086322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.086322 (E_RNA)
where:
Base-Base interactions energy: -582.661
where: short stacking energy: -249.204
Base-Backbone interact. energy: -1.814
local terms energy: -293.611334
where:
bonds (distance) C4'-P energy: -63.807
bonds (distance) P-C4' energy: -62.458
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -47.014
tors. eta vs tors. theta energy: -57.283
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: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -698.956107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.956107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.956107 (E_RNA)
where:
Base-Base interactions energy: -442.266
where: short stacking energy: -193.783
Base-Backbone interact. energy: 1.006
local terms energy: -257.695999
where:
bonds (distance) C4'-P energy: -59.596
bonds (distance) P-C4' energy: -59.385
flat angles C4'-P-C4' energy: -66.360
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -33.527
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: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -542.447101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.447101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.447101 (E_RNA)
where:
Base-Base interactions energy: -328.601
where: short stacking energy: -148.036
Base-Backbone interact. energy: 3.081
local terms energy: -216.926805
where:
bonds (distance) C4'-P energy: -53.294
bonds (distance) P-C4' energy: -61.285
flat angles C4'-P-C4' energy: -54.884
flat angles P-C4'-P energy: -37.036
tors. eta vs tors. theta energy: -10.428
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1353.914847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.914847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.914847 (E_RNA)
where:
Base-Base interactions energy: -932.753
where: short stacking energy: -418.025
Base-Backbone interact. energy: -2.670
local terms energy: -418.491514
where:
bonds (distance) C4'-P energy: -75.812
bonds (distance) P-C4' energy: -77.153
flat angles C4'-P-C4' energy: -87.697
flat angles P-C4'-P energy: -59.427
tors. eta vs tors. theta energy: -118.402
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: 47
Temperature: 0.950000
Total energy: -1232.512081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.512081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.512081 (E_RNA)
where:
Base-Base interactions energy: -859.703
where: short stacking energy: -359.096
Base-Backbone interact. energy: -0.047
local terms energy: -372.762576
where:
bonds (distance) C4'-P energy: -70.191
bonds (distance) P-C4' energy: -77.223
flat angles C4'-P-C4' energy: -82.539
flat angles P-C4'-P energy: -55.033
tors. eta vs tors. theta energy: -87.776
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: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1187.500647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.500647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.500647 (E_RNA)
where:
Base-Base interactions energy: -836.079
where: short stacking energy: -336.771
Base-Backbone interact. energy: -2.805
local terms energy: -348.616496
where:
bonds (distance) C4'-P energy: -68.666
bonds (distance) P-C4' energy: -70.761
flat angles C4'-P-C4' energy: -76.047
flat angles P-C4'-P energy: -49.105
tors. eta vs tors. theta energy: -84.038
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: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1146.886594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.886594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.886594 (E_RNA)
where:
Base-Base interactions energy: -777.555
where: short stacking energy: -320.699
Base-Backbone interact. energy: -1.364
local terms energy: -367.967626
where:
bonds (distance) C4'-P energy: -75.444
bonds (distance) P-C4' energy: -75.469
flat angles C4'-P-C4' energy: -76.323
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -86.628
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: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1060.600691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.600691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.600691 (E_RNA)
where:
Base-Base interactions energy: -758.280
where: short stacking energy: -311.628
Base-Backbone interact. energy: 0.344
local terms energy: -302.664849
where:
bonds (distance) C4'-P energy: -51.999
bonds (distance) P-C4' energy: -57.445
flat angles C4'-P-C4' energy: -77.019
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -74.002
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: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1086.265316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.265316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.265316 (E_RNA)
where:
Base-Base interactions energy: -771.263
where: short stacking energy: -331.783
Base-Backbone interact. energy: 0.810
local terms energy: -315.812230
where:
bonds (distance) C4'-P energy: -56.714
bonds (distance) P-C4' energy: -58.749
flat angles C4'-P-C4' energy: -76.020
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -85.702
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: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -957.169663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.169663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.169663 (E_RNA)
where:
Base-Base interactions energy: -642.574
where: short stacking energy: -305.639
Base-Backbone interact. energy: -1.153
local terms energy: -313.442457
where:
bonds (distance) C4'-P energy: -60.324
bonds (distance) P-C4' energy: -61.012
flat angles C4'-P-C4' energy: -69.098
flat angles P-C4'-P energy: -48.216
tors. eta vs tors. theta energy: -74.792
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: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -878.070766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.070766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.070766 (E_RNA)
where:
Base-Base interactions energy: -569.994
where: short stacking energy: -276.046
Base-Backbone interact. energy: -0.094
local terms energy: -307.983104
where:
bonds (distance) C4'-P energy: -53.470
bonds (distance) P-C4' energy: -61.118
flat angles C4'-P-C4' energy: -78.413
flat angles P-C4'-P energy: -42.435
tors. eta vs tors. theta energy: -72.547
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: 47
Temperature: 1.300000
Total energy: -673.908749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.908749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.908749 (E_RNA)
where:
Base-Base interactions energy: -416.208
where: short stacking energy: -194.756
Base-Backbone interact. energy: -0.176
local terms energy: -257.524557
where:
bonds (distance) C4'-P energy: -65.635
bonds (distance) P-C4' energy: -64.444
flat angles C4'-P-C4' energy: -64.711
flat angles P-C4'-P energy: -46.499
tors. eta vs tors. theta energy: -16.236
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: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -635.636803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.636803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.636803 (E_RNA)
where:
Base-Base interactions energy: -398.672
where: short stacking energy: -177.101
Base-Backbone interact. energy: 0.277
local terms energy: -237.241573
where:
bonds (distance) C4'-P energy: -52.926
bonds (distance) P-C4' energy: -69.154
flat angles C4'-P-C4' energy: -60.100
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -25.214
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: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1344.653890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.653890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.653890 (E_RNA)
where:
Base-Base interactions energy: -951.928
where: short stacking energy: -421.114
Base-Backbone interact. energy: -0.592
local terms energy: -392.133899
where:
bonds (distance) C4'-P energy: -70.389
bonds (distance) P-C4' energy: -65.278
flat angles C4'-P-C4' energy: -86.450
flat angles P-C4'-P energy: -52.355
tors. eta vs tors. theta energy: -117.661
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: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1219.423125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.423125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.423125 (E_RNA)
where:
Base-Base interactions energy: -838.138
where: short stacking energy: -331.628
Base-Backbone interact. energy: -1.622
local terms energy: -379.663137
where:
bonds (distance) C4'-P energy: -79.207
bonds (distance) P-C4' energy: -86.903
flat angles C4'-P-C4' energy: -77.184
flat angles P-C4'-P energy: -48.147
tors. eta vs tors. theta energy: -88.222
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: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1159.858557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.858557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.858557 (E_RNA)
where:
Base-Base interactions energy: -789.693
where: short stacking energy: -321.271
Base-Backbone interact. energy: -2.792
local terms energy: -367.372944
where:
bonds (distance) C4'-P energy: -72.810
bonds (distance) P-C4' energy: -78.497
flat angles C4'-P-C4' energy: -78.443
flat angles P-C4'-P energy: -54.655
tors. eta vs tors. theta energy: -82.968
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: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1163.592444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.592444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.592444 (E_RNA)
where:
Base-Base interactions energy: -814.375
where: short stacking energy: -347.988
Base-Backbone interact. energy: 2.715
local terms energy: -351.932030
where:
bonds (distance) C4'-P energy: -64.572
bonds (distance) P-C4' energy: -68.531
flat angles C4'-P-C4' energy: -79.665
flat angles P-C4'-P energy: -50.926
tors. eta vs tors. theta energy: -88.237
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: 48
Temperature: 1.100000
Total energy: -1101.189990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.189990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.189990 (E_RNA)
where:
Base-Base interactions energy: -756.767
where: short stacking energy: -320.110
Base-Backbone interact. energy: -2.125
local terms energy: -342.298080
where:
bonds (distance) C4'-P energy: -62.591
bonds (distance) P-C4' energy: -65.635
flat angles C4'-P-C4' energy: -71.650
flat angles P-C4'-P energy: -57.828
tors. eta vs tors. theta energy: -84.594
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: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1026.916972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.916972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.916972 (E_RNA)
where:
Base-Base interactions energy: -707.656
where: short stacking energy: -294.582
Base-Backbone interact. energy: -1.712
local terms energy: -317.549437
where:
bonds (distance) C4'-P energy: -70.158
bonds (distance) P-C4' energy: -72.035
flat angles C4'-P-C4' energy: -55.135
flat angles P-C4'-P energy: -46.314
tors. eta vs tors. theta energy: -73.908
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: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -979.277649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.277649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.277649 (E_RNA)
where:
Base-Base interactions energy: -671.120
where: short stacking energy: -300.674
Base-Backbone interact. energy: -0.490
local terms energy: -307.667688
where:
bonds (distance) C4'-P energy: -57.537
bonds (distance) P-C4' energy: -65.793
flat angles C4'-P-C4' energy: -70.329
flat angles P-C4'-P energy: -40.990
tors. eta vs tors. theta energy: -73.019
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: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -841.385650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.385650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.385650 (E_RNA)
where:
Base-Base interactions energy: -562.501
where: short stacking energy: -253.997
Base-Backbone interact. energy: 1.738
local terms energy: -280.622906
where:
bonds (distance) C4'-P energy: -64.688
bonds (distance) P-C4' energy: -52.404
flat angles C4'-P-C4' energy: -78.058
flat angles P-C4'-P energy: -33.126
tors. eta vs tors. theta energy: -52.348
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -708.678774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.678774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.678774 (E_RNA)
where:
Base-Base interactions energy: -468.350
where: short stacking energy: -192.018
Base-Backbone interact. energy: -0.207
local terms energy: -240.122181
where:
bonds (distance) C4'-P energy: -58.357
bonds (distance) P-C4' energy: -64.780
flat angles C4'-P-C4' energy: -57.309
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -35.467
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: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -700.690284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.690284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.690284 (E_RNA)
where:
Base-Base interactions energy: -478.194
where: short stacking energy: -194.613
Base-Backbone interact. energy: 2.586
local terms energy: -225.082116
where:
bonds (distance) C4'-P energy: -58.374
bonds (distance) P-C4' energy: -59.881
flat angles C4'-P-C4' energy: -44.470
flat angles P-C4'-P energy: -29.363
tors. eta vs tors. theta energy: -32.994
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: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1330.971236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.971236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.971236 (E_RNA)
where:
Base-Base interactions energy: -921.616
where: short stacking energy: -403.450
Base-Backbone interact. energy: -0.999
local terms energy: -408.356967
where:
bonds (distance) C4'-P energy: -77.502
bonds (distance) P-C4' energy: -77.897
flat angles C4'-P-C4' energy: -79.263
flat angles P-C4'-P energy: -60.020
tors. eta vs tors. theta energy: -113.675
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: 49
Temperature: 0.950000
Total energy: -1225.047217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.047217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.047217 (E_RNA)
where:
Base-Base interactions energy: -866.834
where: short stacking energy: -351.157
Base-Backbone interact. energy: -1.259
local terms energy: -356.954197
where:
bonds (distance) C4'-P energy: -65.247
bonds (distance) P-C4' energy: -70.123
flat angles C4'-P-C4' energy: -80.343
flat angles P-C4'-P energy: -59.148
tors. eta vs tors. theta energy: -82.093
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: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1197.679483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.679483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.679483 (E_RNA)
where:
Base-Base interactions energy: -844.566
where: short stacking energy: -352.361
Base-Backbone interact. energy: -2.342
local terms energy: -350.771494
where:
bonds (distance) C4'-P energy: -75.236
bonds (distance) P-C4' energy: -60.048
flat angles C4'-P-C4' energy: -84.979
flat angles P-C4'-P energy: -40.756
tors. eta vs tors. theta energy: -89.752
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: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1174.766897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.766897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.766897 (E_RNA)
where:
Base-Base interactions energy: -807.594
where: short stacking energy: -349.470
Base-Backbone interact. energy: 1.560
local terms energy: -368.733116
where:
bonds (distance) C4'-P energy: -71.536
bonds (distance) P-C4' energy: -72.143
flat angles C4'-P-C4' energy: -77.593
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: -98.713
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: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1119.968203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.968203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.968203 (E_RNA)
where:
Base-Base interactions energy: -762.290
where: short stacking energy: -329.309
Base-Backbone interact. energy: -1.201
local terms energy: -356.477400
where:
bonds (distance) C4'-P energy: -66.840
bonds (distance) P-C4' energy: -69.809
flat angles C4'-P-C4' energy: -76.948
flat angles P-C4'-P energy: -49.332
tors. eta vs tors. theta energy: -93.549
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: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1017.402819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.402819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.402819 (E_RNA)
where:
Base-Base interactions energy: -688.187
where: short stacking energy: -271.714
Base-Backbone interact. energy: -0.148
local terms energy: -329.068240
where:
bonds (distance) C4'-P energy: -74.818
bonds (distance) P-C4' energy: -76.035
flat angles C4'-P-C4' energy: -70.254
flat angles P-C4'-P energy: -49.325
tors. eta vs tors. theta energy: -58.636
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: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -978.904811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.904811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.904811 (E_RNA)
where:
Base-Base interactions energy: -662.014
where: short stacking energy: -295.384
Base-Backbone interact. energy: -1.984
local terms energy: -314.906667
where:
bonds (distance) C4'-P energy: -59.800
bonds (distance) P-C4' energy: -58.195
flat angles C4'-P-C4' energy: -65.496
flat angles P-C4'-P energy: -57.943
tors. eta vs tors. theta energy: -73.473
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: 49
Temperature: 1.250000
Total energy: -862.286605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.286605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.286605 (E_RNA)
where:
Base-Base interactions energy: -579.560
where: short stacking energy: -251.098
Base-Backbone interact. energy: -0.296
local terms energy: -282.430565
where:
bonds (distance) C4'-P energy: -53.463
bonds (distance) P-C4' energy: -53.767
flat angles C4'-P-C4' energy: -67.087
flat angles P-C4'-P energy: -45.347
tors. eta vs tors. theta energy: -62.768
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: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -746.745362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.745362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.745362 (E_RNA)
where:
Base-Base interactions energy: -485.232
where: short stacking energy: -212.603
Base-Backbone interact. energy: 1.731
local terms energy: -263.244257
where:
bonds (distance) C4'-P energy: -63.074
bonds (distance) P-C4' energy: -57.791
flat angles C4'-P-C4' energy: -58.526
flat angles P-C4'-P energy: -40.519
tors. eta vs tors. theta energy: -43.334
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: 49
Temperature: 1.350000
Total energy: -708.262891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.262891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.262891 (E_RNA)
where:
Base-Base interactions energy: -447.053
where: short stacking energy: -206.843
Base-Backbone interact. energy: 0.682
local terms energy: -261.891225
where:
bonds (distance) C4'-P energy: -71.998
bonds (distance) P-C4' energy: -65.660
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -31.497
tors. eta vs tors. theta energy: -37.324
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: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1331.714132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.714132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.714132 (E_RNA)
where:
Base-Base interactions energy: -942.576
where: short stacking energy: -405.190
Base-Backbone interact. energy: -1.758
local terms energy: -387.380820
where:
bonds (distance) C4'-P energy: -69.681
bonds (distance) P-C4' energy: -68.026
flat angles C4'-P-C4' energy: -79.911
flat angles P-C4'-P energy: -60.738
tors. eta vs tors. theta energy: -109.024
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: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1226.314871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.314871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.314871 (E_RNA)
where:
Base-Base interactions energy: -857.417
where: short stacking energy: -369.326
Base-Backbone interact. energy: -3.101
local terms energy: -365.796656
where:
bonds (distance) C4'-P energy: -68.970
bonds (distance) P-C4' energy: -66.892
flat angles C4'-P-C4' energy: -77.748
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -92.898
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: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1174.412991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.412991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.412991 (E_RNA)
where:
Base-Base interactions energy: -801.295
where: short stacking energy: -343.429
Base-Backbone interact. energy: -0.140
local terms energy: -372.977663
where:
bonds (distance) C4'-P energy: -71.772
bonds (distance) P-C4' energy: -79.810
flat angles C4'-P-C4' energy: -79.820
flat angles P-C4'-P energy: -50.676
tors. eta vs tors. theta energy: -90.900
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: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1148.199940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.199940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.199940 (E_RNA)
where:
Base-Base interactions energy: -801.509
where: short stacking energy: -340.295
Base-Backbone interact. energy: -0.822
local terms energy: -345.869443
where:
bonds (distance) C4'-P energy: -73.866
bonds (distance) P-C4' energy: -71.025
flat angles C4'-P-C4' energy: -67.059
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: -76.980
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: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1128.288237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.288237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.288237 (E_RNA)
where:
Base-Base interactions energy: -776.643
where: short stacking energy: -345.438
Base-Backbone interact. energy: -0.580
local terms energy: -351.065600
where:
bonds (distance) C4'-P energy: -67.693
bonds (distance) P-C4' energy: -74.081
flat angles C4'-P-C4' energy: -81.930
flat angles P-C4'-P energy: -46.121
tors. eta vs tors. theta energy: -81.240
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: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -999.238453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.238453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.238453 (E_RNA)
where:
Base-Base interactions energy: -682.425
where: short stacking energy: -303.795
Base-Backbone interact. energy: -0.697
local terms energy: -316.116806
where:
bonds (distance) C4'-P energy: -71.161
bonds (distance) P-C4' energy: -66.740
flat angles C4'-P-C4' energy: -65.686
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -71.939
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: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -949.122961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.122961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.122961 (E_RNA)
where:
Base-Base interactions energy: -658.103
where: short stacking energy: -303.924
Base-Backbone interact. energy: -1.614
local terms energy: -289.405946
where:
bonds (distance) C4'-P energy: -51.849
bonds (distance) P-C4' energy: -66.603
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -41.944
tors. eta vs tors. theta energy: -73.439
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: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -840.791635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.791635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.791635 (E_RNA)
where:
Base-Base interactions energy: -550.573
where: short stacking energy: -256.235
Base-Backbone interact. energy: -1.094
local terms energy: -289.124760
where:
bonds (distance) C4'-P energy: -67.516
bonds (distance) P-C4' energy: -65.742
flat angles C4'-P-C4' energy: -67.287
flat angles P-C4'-P energy: -36.422
tors. eta vs tors. theta energy: -52.157
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: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -763.438392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.438392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.438392 (E_RNA)
where:
Base-Base interactions energy: -510.652
where: short stacking energy: -210.678
Base-Backbone interact. energy: 1.957
local terms energy: -254.742836
where:
bonds (distance) C4'-P energy: -56.221
bonds (distance) P-C4' energy: -67.967
flat angles C4'-P-C4' energy: -62.372
flat angles P-C4'-P energy: -34.469
tors. eta vs tors. theta energy: -33.712
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: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -734.059019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.059019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.059019 (E_RNA)
where:
Base-Base interactions energy: -476.299
where: short stacking energy: -198.651
Base-Backbone interact. energy: -1.739
local terms energy: -256.020212
where:
bonds (distance) C4'-P energy: -60.812
bonds (distance) P-C4' energy: -62.924
flat angles C4'-P-C4' energy: -57.631
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: -38.727
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: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1328.829658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.829658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.829658 (E_RNA)
where:
Base-Base interactions energy: -939.026
where: short stacking energy: -411.926
Base-Backbone interact. energy: -2.313
local terms energy: -387.490756
where:
bonds (distance) C4'-P energy: -71.476
bonds (distance) P-C4' energy: -69.829
flat angles C4'-P-C4' energy: -83.644
flat angles P-C4'-P energy: -49.475
tors. eta vs tors. theta energy: -113.067
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: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1213.992996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.992996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.992996 (E_RNA)
where:
Base-Base interactions energy: -867.825
where: short stacking energy: -352.832
Base-Backbone interact. energy: 2.024
local terms energy: -348.191081
where:
bonds (distance) C4'-P energy: -69.752
bonds (distance) P-C4' energy: -67.382
flat angles C4'-P-C4' energy: -75.263
flat angles P-C4'-P energy: -50.284
tors. eta vs tors. theta energy: -85.510
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: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1189.909664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.909664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.909664 (E_RNA)
where:
Base-Base interactions energy: -807.773
where: short stacking energy: -337.138
Base-Backbone interact. energy: 0.267
local terms energy: -382.404358
where:
bonds (distance) C4'-P energy: -78.194
bonds (distance) P-C4' energy: -73.139
flat angles C4'-P-C4' energy: -83.309
flat angles P-C4'-P energy: -52.985
tors. eta vs tors. theta energy: -94.777
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: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1190.356405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.356405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.356405 (E_RNA)
where:
Base-Base interactions energy: -818.379
where: short stacking energy: -359.887
Base-Backbone interact. energy: -0.547
local terms energy: -371.430796
where:
bonds (distance) C4'-P energy: -63.207
bonds (distance) P-C4' energy: -64.654
flat angles C4'-P-C4' energy: -81.100
flat angles P-C4'-P energy: -58.334
tors. eta vs tors. theta energy: -104.136
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: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1065.844940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.844940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.844940 (E_RNA)
where:
Base-Base interactions energy: -736.159
where: short stacking energy: -316.975
Base-Backbone interact. energy: 0.422
local terms energy: -330.108144
where:
bonds (distance) C4'-P energy: -64.380
bonds (distance) P-C4' energy: -68.827
flat angles C4'-P-C4' energy: -71.276
flat angles P-C4'-P energy: -52.304
tors. eta vs tors. theta energy: -73.322
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: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1077.262723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.262723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.262723 (E_RNA)
where:
Base-Base interactions energy: -725.361
where: short stacking energy: -305.824
Base-Backbone interact. energy: -1.190
local terms energy: -350.710989
where:
bonds (distance) C4'-P energy: -67.508
bonds (distance) P-C4' energy: -73.711
flat angles C4'-P-C4' energy: -73.786
flat angles P-C4'-P energy: -51.637
tors. eta vs tors. theta energy: -84.069
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: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -945.099734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.099734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.099734 (E_RNA)
where:
Base-Base interactions energy: -637.921
where: short stacking energy: -289.308
Base-Backbone interact. energy: -0.051
local terms energy: -307.127624
where:
bonds (distance) C4'-P energy: -66.798
bonds (distance) P-C4' energy: -65.453
flat angles C4'-P-C4' energy: -61.595
flat angles P-C4'-P energy: -41.556
tors. eta vs tors. theta energy: -71.726
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: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -803.493486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.493486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.493486 (E_RNA)
where:
Base-Base interactions energy: -526.043
where: short stacking energy: -244.144
Base-Backbone interact. energy: 0.454
local terms energy: -277.904947
where:
bonds (distance) C4'-P energy: -72.757
bonds (distance) P-C4' energy: -58.057
flat angles C4'-P-C4' energy: -58.549
flat angles P-C4'-P energy: -37.809
tors. eta vs tors. theta energy: -50.733
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: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -788.591031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.591031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.591031 (E_RNA)
where:
Base-Base interactions energy: -513.857
where: short stacking energy: -239.500
Base-Backbone interact. energy: 3.456
local terms energy: -278.189835
where:
bonds (distance) C4'-P energy: -58.718
bonds (distance) P-C4' energy: -60.284
flat angles C4'-P-C4' energy: -67.104
flat angles P-C4'-P energy: -34.632
tors. eta vs tors. theta energy: -57.453
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: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -708.828299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.828299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.828299 (E_RNA)
where:
Base-Base interactions energy: -453.295
where: short stacking energy: -210.253
Base-Backbone interact. energy: 2.286
local terms energy: -257.818840
where:
bonds (distance) C4'-P energy: -61.917
bonds (distance) P-C4' energy: -59.797
flat angles C4'-P-C4' energy: -58.891
flat angles P-C4'-P energy: -38.984
tors. eta vs tors. theta energy: -38.229
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: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1326.664777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.664777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.664777 (E_RNA)
where:
Base-Base interactions energy: -925.028
where: short stacking energy: -402.771
Base-Backbone interact. energy: -1.279
local terms energy: -400.358174
where:
bonds (distance) C4'-P energy: -80.876
bonds (distance) P-C4' energy: -73.579
flat angles C4'-P-C4' energy: -75.871
flat angles P-C4'-P energy: -54.891
tors. eta vs tors. theta energy: -115.142
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: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1249.737798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.737798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.737798 (E_RNA)
where:
Base-Base interactions energy: -881.785
where: short stacking energy: -355.699
Base-Backbone interact. energy: 0.371
local terms energy: -368.323505
where:
bonds (distance) C4'-P energy: -70.129
bonds (distance) P-C4' energy: -71.464
flat angles C4'-P-C4' energy: -81.947
flat angles P-C4'-P energy: -52.839
tors. eta vs tors. theta energy: -91.944
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: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1187.475277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.475277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.475277 (E_RNA)
where:
Base-Base interactions energy: -833.890
where: short stacking energy: -331.945
Base-Backbone interact. energy: -2.389
local terms energy: -351.195567
where:
bonds (distance) C4'-P energy: -64.981
bonds (distance) P-C4' energy: -75.859
flat angles C4'-P-C4' energy: -69.973
flat angles P-C4'-P energy: -50.901
tors. eta vs tors. theta energy: -89.482
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: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1194.294447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.294447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.294447 (E_RNA)
where:
Base-Base interactions energy: -830.709
where: short stacking energy: -378.357
Base-Backbone interact. energy: -2.016
local terms energy: -361.568896
where:
bonds (distance) C4'-P energy: -66.044
bonds (distance) P-C4' energy: -66.482
flat angles C4'-P-C4' energy: -71.631
flat angles P-C4'-P energy: -56.789
tors. eta vs tors. theta energy: -100.622
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: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1106.135542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.135542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.135542 (E_RNA)
where:
Base-Base interactions energy: -777.310
where: short stacking energy: -330.709
Base-Backbone interact. energy: -0.693
local terms energy: -328.133298
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -70.803
flat angles C4'-P-C4' energy: -72.118
flat angles P-C4'-P energy: -47.901
tors. eta vs tors. theta energy: -84.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1048.211610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.211610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.211610 (E_RNA)
where:
Base-Base interactions energy: -721.552
where: short stacking energy: -299.883
Base-Backbone interact. energy: 0.113
local terms energy: -326.772554
where:
bonds (distance) C4'-P energy: -56.690
bonds (distance) P-C4' energy: -69.938
flat angles C4'-P-C4' energy: -69.073
flat angles P-C4'-P energy: -55.638
tors. eta vs tors. theta energy: -75.433
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: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -967.117578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.117578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.117578 (E_RNA)
where:
Base-Base interactions energy: -631.676
where: short stacking energy: -302.796
Base-Backbone interact. energy: -3.030
local terms energy: -332.411073
where:
bonds (distance) C4'-P energy: -65.670
bonds (distance) P-C4' energy: -67.690
flat angles C4'-P-C4' energy: -69.732
flat angles P-C4'-P energy: -51.350
tors. eta vs tors. theta energy: -77.969
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: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -817.532661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.532661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.532661 (E_RNA)
where:
Base-Base interactions energy: -547.754
where: short stacking energy: -242.249
Base-Backbone interact. energy: -1.067
local terms energy: -268.711380
where:
bonds (distance) C4'-P energy: -46.860
bonds (distance) P-C4' energy: -59.818
flat angles C4'-P-C4' energy: -72.255
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: -52.122
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: 52
Temperature: 1.300000
Total energy: -859.350987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.350987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.350987 (E_RNA)
where:
Base-Base interactions energy: -552.593
where: short stacking energy: -248.604
Base-Backbone interact. energy: -0.723
local terms energy: -306.035435
where:
bonds (distance) C4'-P energy: -66.641
bonds (distance) P-C4' energy: -54.493
flat angles C4'-P-C4' energy: -76.770
flat angles P-C4'-P energy: -44.385
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: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -683.079863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.079863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.079863 (E_RNA)
where:
Base-Base interactions energy: -430.898
where: short stacking energy: -184.492
Base-Backbone interact. energy: -0.894
local terms energy: -251.288117
where:
bonds (distance) C4'-P energy: -65.389
bonds (distance) P-C4' energy: -57.073
flat angles C4'-P-C4' energy: -55.694
flat angles P-C4'-P energy: -48.084
tors. eta vs tors. theta energy: -25.049
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: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1349.112113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.112113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.112113 (E_RNA)
where:
Base-Base interactions energy: -955.242
where: short stacking energy: -411.582
Base-Backbone interact. energy: -0.413
local terms energy: -393.456845
where:
bonds (distance) C4'-P energy: -74.090
bonds (distance) P-C4' energy: -75.581
flat angles C4'-P-C4' energy: -78.325
flat angles P-C4'-P energy: -52.663
tors. eta vs tors. theta energy: -112.797
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: 53
Temperature: 0.950000
Total energy: -1239.377136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.377136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.377136 (E_RNA)
where:
Base-Base interactions energy: -880.783
where: short stacking energy: -354.864
Base-Backbone interact. energy: -1.445
local terms energy: -357.148920
where:
bonds (distance) C4'-P energy: -64.953
bonds (distance) P-C4' energy: -68.426
flat angles C4'-P-C4' energy: -81.321
flat angles P-C4'-P energy: -49.331
tors. eta vs tors. theta energy: -93.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1188.882824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.882824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.882824 (E_RNA)
where:
Base-Base interactions energy: -839.502
where: short stacking energy: -363.926
Base-Backbone interact. energy: -0.183
local terms energy: -349.197199
where:
bonds (distance) C4'-P energy: -56.339
bonds (distance) P-C4' energy: -73.723
flat angles C4'-P-C4' energy: -74.715
flat angles P-C4'-P energy: -48.872
tors. eta vs tors. theta energy: -95.548
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: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1200.155923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.155923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.155923 (E_RNA)
where:
Base-Base interactions energy: -844.324
where: short stacking energy: -364.187
Base-Backbone interact. energy: -2.466
local terms energy: -353.366087
where:
bonds (distance) C4'-P energy: -68.203
bonds (distance) P-C4' energy: -66.259
flat angles C4'-P-C4' energy: -72.648
flat angles P-C4'-P energy: -49.878
tors. eta vs tors. theta energy: -96.378
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: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1097.051998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.051998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.051998 (E_RNA)
where:
Base-Base interactions energy: -751.304
where: short stacking energy: -313.933
Base-Backbone interact. energy: 4.962
local terms energy: -350.710566
where:
bonds (distance) C4'-P energy: -66.597
bonds (distance) P-C4' energy: -74.721
flat angles C4'-P-C4' energy: -73.805
flat angles P-C4'-P energy: -54.755
tors. eta vs tors. theta energy: -80.833
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: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1074.449031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.449031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.449031 (E_RNA)
where:
Base-Base interactions energy: -750.000
where: short stacking energy: -329.938
Base-Backbone interact. energy: 0.488
local terms energy: -324.937071
where:
bonds (distance) C4'-P energy: -66.435
bonds (distance) P-C4' energy: -58.348
flat angles C4'-P-C4' energy: -74.927
flat angles P-C4'-P energy: -38.600
tors. eta vs tors. theta energy: -86.626
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: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -963.288419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.288419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.288419 (E_RNA)
where:
Base-Base interactions energy: -657.591
where: short stacking energy: -285.829
Base-Backbone interact. energy: -2.636
local terms energy: -303.061162
where:
bonds (distance) C4'-P energy: -47.650
bonds (distance) P-C4' energy: -66.931
flat angles C4'-P-C4' energy: -63.752
flat angles P-C4'-P energy: -49.751
tors. eta vs tors. theta energy: -74.977
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: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -826.853629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.853629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.853629 (E_RNA)
where:
Base-Base interactions energy: -528.904
where: short stacking energy: -239.517
Base-Backbone interact. energy: -2.060
local terms energy: -295.889752
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -66.926
flat angles C4'-P-C4' energy: -75.246
flat angles P-C4'-P energy: -44.958
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: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -845.035814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.035814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.035814 (E_RNA)
where:
Base-Base interactions energy: -530.567
where: short stacking energy: -254.799
Base-Backbone interact. energy: 1.619
local terms energy: -316.088332
where:
bonds (distance) C4'-P energy: -65.498
bonds (distance) P-C4' energy: -73.171
flat angles C4'-P-C4' energy: -60.932
flat angles P-C4'-P energy: -42.732
tors. eta vs tors. theta energy: -73.754
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: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -658.750445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.750445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.750445 (E_RNA)
where:
Base-Base interactions energy: -416.108
where: short stacking energy: -193.160
Base-Backbone interact. energy: -1.637
local terms energy: -241.005450
where:
bonds (distance) C4'-P energy: -58.957
bonds (distance) P-C4' energy: -54.851
flat angles C4'-P-C4' energy: -62.164
flat angles P-C4'-P energy: -32.361
tors. eta vs tors. theta energy: -32.673
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: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1295.715115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.715115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.715115 (E_RNA)
where:
Base-Base interactions energy: -912.663
where: short stacking energy: -396.216
Base-Backbone interact. energy: 0.158
local terms energy: -383.209826
where:
bonds (distance) C4'-P energy: -66.652
bonds (distance) P-C4' energy: -76.544
flat angles C4'-P-C4' energy: -76.446
flat angles P-C4'-P energy: -50.908
tors. eta vs tors. theta energy: -112.660
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: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1252.955015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.955015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.955015 (E_RNA)
where:
Base-Base interactions energy: -873.367
where: short stacking energy: -344.389
Base-Backbone interact. energy: 4.314
local terms energy: -383.901612
where:
bonds (distance) C4'-P energy: -70.628
bonds (distance) P-C4' energy: -84.370
flat angles C4'-P-C4' energy: -79.125
flat angles P-C4'-P energy: -57.921
tors. eta vs tors. theta energy: -91.858
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: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1207.501289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.501289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.501289 (E_RNA)
where:
Base-Base interactions energy: -840.473
where: short stacking energy: -373.986
Base-Backbone interact. energy: -1.671
local terms energy: -365.357872
where:
bonds (distance) C4'-P energy: -58.323
bonds (distance) P-C4' energy: -72.444
flat angles C4'-P-C4' energy: -80.407
flat angles P-C4'-P energy: -53.815
tors. eta vs tors. theta energy: -100.370
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: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1206.999411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.999411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.999411 (E_RNA)
where:
Base-Base interactions energy: -847.927
where: short stacking energy: -371.072
Base-Backbone interact. energy: 1.286
local terms energy: -360.359232
where:
bonds (distance) C4'-P energy: -73.023
bonds (distance) P-C4' energy: -60.925
flat angles C4'-P-C4' energy: -76.142
flat angles P-C4'-P energy: -48.521
tors. eta vs tors. theta energy: -101.748
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: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1109.389244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.389244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.389244 (E_RNA)
where:
Base-Base interactions energy: -780.487
where: short stacking energy: -336.041
Base-Backbone interact. energy: 0.937
local terms energy: -329.839732
where:
bonds (distance) C4'-P energy: -65.672
bonds (distance) P-C4' energy: -64.281
flat angles C4'-P-C4' energy: -70.279
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -83.470
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1073.901894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.901894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.901894 (E_RNA)
where:
Base-Base interactions energy: -746.430
where: short stacking energy: -327.558
Base-Backbone interact. energy: -1.267
local terms energy: -326.205745
where:
bonds (distance) C4'-P energy: -52.593
bonds (distance) P-C4' energy: -68.188
flat angles C4'-P-C4' energy: -76.755
flat angles P-C4'-P energy: -38.914
tors. eta vs tors. theta energy: -89.755
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: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -912.531065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.531065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.531065 (E_RNA)
where:
Base-Base interactions energy: -604.905
where: short stacking energy: -267.029
Base-Backbone interact. energy: -1.278
local terms energy: -306.348218
where:
bonds (distance) C4'-P energy: -58.311
bonds (distance) P-C4' energy: -68.395
flat angles C4'-P-C4' energy: -75.595
flat angles P-C4'-P energy: -33.528
tors. eta vs tors. theta energy: -70.520
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: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -941.517298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.517298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.517298 (E_RNA)
where:
Base-Base interactions energy: -657.124
where: short stacking energy: -288.883
Base-Backbone interact. energy: 0.947
local terms energy: -285.340213
where:
bonds (distance) C4'-P energy: -49.435
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -67.480
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -61.139
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: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -834.003459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.003459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.003459 (E_RNA)
where:
Base-Base interactions energy: -546.771
where: short stacking energy: -248.740
Base-Backbone interact. energy: -0.708
local terms energy: -286.524107
where:
bonds (distance) C4'-P energy: -61.633
bonds (distance) P-C4' energy: -59.468
flat angles C4'-P-C4' energy: -61.126
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -61.348
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -639.377140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.377140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.377140 (E_RNA)
where:
Base-Base interactions energy: -407.968
where: short stacking energy: -180.671
Base-Backbone interact. energy: 3.402
local terms energy: -234.811688
where:
bonds (distance) C4'-P energy: -50.157
bonds (distance) P-C4' energy: -61.461
flat angles C4'-P-C4' energy: -54.904
flat angles P-C4'-P energy: -32.690
tors. eta vs tors. theta energy: -35.600
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: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1320.412645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.412645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.412645 (E_RNA)
where:
Base-Base interactions energy: -933.154
where: short stacking energy: -400.312
Base-Backbone interact. energy: -1.812
local terms energy: -385.447255
where:
bonds (distance) C4'-P energy: -72.820
bonds (distance) P-C4' energy: -73.566
flat angles C4'-P-C4' energy: -80.607
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: -118.390
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: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1253.460580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.460580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.460580 (E_RNA)
where:
Base-Base interactions energy: -888.113
where: short stacking energy: -364.288
Base-Backbone interact. energy: -1.308
local terms energy: -364.039662
where:
bonds (distance) C4'-P energy: -70.862
bonds (distance) P-C4' energy: -60.629
flat angles C4'-P-C4' energy: -83.794
flat angles P-C4'-P energy: -58.744
tors. eta vs tors. theta energy: -90.010
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: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1223.064640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.064640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.064640 (E_RNA)
where:
Base-Base interactions energy: -851.791
where: short stacking energy: -364.846
Base-Backbone interact. energy: -2.029
local terms energy: -369.243847
where:
bonds (distance) C4'-P energy: -71.526
bonds (distance) P-C4' energy: -71.511
flat angles C4'-P-C4' energy: -77.210
flat angles P-C4'-P energy: -53.751
tors. eta vs tors. theta energy: -95.246
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: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1186.557119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.557119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.557119 (E_RNA)
where:
Base-Base interactions energy: -840.879
where: short stacking energy: -372.822
Base-Backbone interact. energy: -0.414
local terms energy: -345.264339
where:
bonds (distance) C4'-P energy: -59.309
bonds (distance) P-C4' energy: -62.359
flat angles C4'-P-C4' energy: -76.357
flat angles P-C4'-P energy: -45.971
tors. eta vs tors. theta energy: -101.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1073.967572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.967572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.967572 (E_RNA)
where:
Base-Base interactions energy: -751.543
where: short stacking energy: -327.644
Base-Backbone interact. energy: 0.016
local terms energy: -322.440321
where:
bonds (distance) C4'-P energy: -65.591
bonds (distance) P-C4' energy: -57.728
flat angles C4'-P-C4' energy: -67.967
flat angles P-C4'-P energy: -45.534
tors. eta vs tors. theta energy: -85.621
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: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1087.477990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.477990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.477990 (E_RNA)
where:
Base-Base interactions energy: -766.287
where: short stacking energy: -313.692
Base-Backbone interact. energy: -1.673
local terms energy: -319.518817
where:
bonds (distance) C4'-P energy: -55.263
bonds (distance) P-C4' energy: -70.224
flat angles C4'-P-C4' energy: -70.347
flat angles P-C4'-P energy: -41.422
tors. eta vs tors. theta energy: -82.263
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: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -844.832360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.832360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.832360 (E_RNA)
where:
Base-Base interactions energy: -566.299
where: short stacking energy: -261.054
Base-Backbone interact. energy: 2.807
local terms energy: -281.340375
where:
bonds (distance) C4'-P energy: -61.095
bonds (distance) P-C4' energy: -51.682
flat angles C4'-P-C4' energy: -74.882
flat angles P-C4'-P energy: -30.504
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: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -950.101222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.101222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.101222 (E_RNA)
where:
Base-Base interactions energy: -659.008
where: short stacking energy: -293.061
Base-Backbone interact. energy: 1.651
local terms energy: -292.745014
where:
bonds (distance) C4'-P energy: -47.095
bonds (distance) P-C4' energy: -72.568
flat angles C4'-P-C4' energy: -60.119
flat angles P-C4'-P energy: -52.040
tors. eta vs tors. theta energy: -60.923
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: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -836.043115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.043115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.043115 (E_RNA)
where:
Base-Base interactions energy: -562.990
where: short stacking energy: -256.589
Base-Backbone interact. energy: -0.843
local terms energy: -272.210131
where:
bonds (distance) C4'-P energy: -64.341
bonds (distance) P-C4' energy: -58.426
flat angles C4'-P-C4' energy: -49.547
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -69.050
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: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -598.286183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.286183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.286183 (E_RNA)
where:
Base-Base interactions energy: -364.898
where: short stacking energy: -172.233
Base-Backbone interact. energy: 3.704
local terms energy: -237.092700
where:
bonds (distance) C4'-P energy: -59.727
bonds (distance) P-C4' energy: -65.306
flat angles C4'-P-C4' energy: -48.962
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -24.183
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: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1281.938195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.938195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.938195 (E_RNA)
where:
Base-Base interactions energy: -905.311
where: short stacking energy: -370.160
Base-Backbone interact. energy: 0.903
local terms energy: -377.529791
where:
bonds (distance) C4'-P energy: -68.554
bonds (distance) P-C4' energy: -78.845
flat angles C4'-P-C4' energy: -79.428
flat angles P-C4'-P energy: -60.420
tors. eta vs tors. theta energy: -90.283
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: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1289.788506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.788506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.788506 (E_RNA)
where:
Base-Base interactions energy: -917.314
where: short stacking energy: -406.822
Base-Backbone interact. energy: -2.434
local terms energy: -370.040845
where:
bonds (distance) C4'-P energy: -69.078
bonds (distance) P-C4' energy: -61.331
flat angles C4'-P-C4' energy: -80.561
flat angles P-C4'-P energy: -47.805
tors. eta vs tors. theta energy: -111.265
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: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1253.063365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.063365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.063365 (E_RNA)
where:
Base-Base interactions energy: -883.037
where: short stacking energy: -386.319
Base-Backbone interact. energy: 1.409
local terms energy: -371.435459
where:
bonds (distance) C4'-P energy: -69.331
bonds (distance) P-C4' energy: -72.190
flat angles C4'-P-C4' energy: -81.613
flat angles P-C4'-P energy: -48.725
tors. eta vs tors. theta energy: -99.577
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: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1213.588438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.588438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.588438 (E_RNA)
where:
Base-Base interactions energy: -839.595
where: short stacking energy: -362.321
Base-Backbone interact. energy: 0.488
local terms energy: -374.482085
where:
bonds (distance) C4'-P energy: -70.976
bonds (distance) P-C4' energy: -70.163
flat angles C4'-P-C4' energy: -81.712
flat angles P-C4'-P energy: -51.407
tors. eta vs tors. theta energy: -100.225
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: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1120.553038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.553038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.553038 (E_RNA)
where:
Base-Base interactions energy: -781.375
where: short stacking energy: -332.616
Base-Backbone interact. energy: -0.913
local terms energy: -338.264277
where:
bonds (distance) C4'-P energy: -67.048
bonds (distance) P-C4' energy: -62.192
flat angles C4'-P-C4' energy: -76.578
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -89.046
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: 56
Temperature: 1.150000
Total energy: -1069.315423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.315423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.315423 (E_RNA)
where:
Base-Base interactions energy: -723.505
where: short stacking energy: -294.397
Base-Backbone interact. energy: -1.066
local terms energy: -344.744247
where:
bonds (distance) C4'-P energy: -68.536
bonds (distance) P-C4' energy: -71.729
flat angles C4'-P-C4' energy: -73.259
flat angles P-C4'-P energy: -45.603
tors. eta vs tors. theta energy: -85.618
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: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -963.245106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.245106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.245106 (E_RNA)
where:
Base-Base interactions energy: -636.188
where: short stacking energy: -261.402
Base-Backbone interact. energy: 0.498
local terms energy: -327.554606
where:
bonds (distance) C4'-P energy: -62.459
bonds (distance) P-C4' energy: -82.738
flat angles C4'-P-C4' energy: -66.972
flat angles P-C4'-P energy: -53.266
tors. eta vs tors. theta energy: -62.119
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: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -807.012559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.012559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.012559 (E_RNA)
where:
Base-Base interactions energy: -545.876
where: short stacking energy: -216.608
Base-Backbone interact. energy: -2.923
local terms energy: -258.212631
where:
bonds (distance) C4'-P energy: -61.608
bonds (distance) P-C4' energy: -64.855
flat angles C4'-P-C4' energy: -57.995
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -41.039
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: 56
Temperature: 1.300000
Total energy: -860.729728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.729728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.729728 (E_RNA)
where:
Base-Base interactions energy: -556.284
where: short stacking energy: -263.499
Base-Backbone interact. energy: -1.207
local terms energy: -303.238796
where:
bonds (distance) C4'-P energy: -63.038
bonds (distance) P-C4' energy: -57.842
flat angles C4'-P-C4' energy: -75.746
flat angles P-C4'-P energy: -41.023
tors. eta vs tors. theta energy: -65.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -588.234022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.234022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.234022 (E_RNA)
where:
Base-Base interactions energy: -372.196
where: short stacking energy: -174.243
Base-Backbone interact. energy: 2.852
local terms energy: -218.890518
where:
bonds (distance) C4'-P energy: -68.189
bonds (distance) P-C4' energy: -55.738
flat angles C4'-P-C4' energy: -54.729
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -20.295
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: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1278.505501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.505501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.505501 (E_RNA)
where:
Base-Base interactions energy: -913.582
where: short stacking energy: -371.705
Base-Backbone interact. energy: -0.453
local terms energy: -364.470499
where:
bonds (distance) C4'-P energy: -57.403
bonds (distance) P-C4' energy: -76.396
flat angles C4'-P-C4' energy: -81.274
flat angles P-C4'-P energy: -53.485
tors. eta vs tors. theta energy: -95.913
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: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1302.719371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.719371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.719371 (E_RNA)
where:
Base-Base interactions energy: -909.780
where: short stacking energy: -388.387
Base-Backbone interact. energy: -0.591
local terms energy: -392.349272
where:
bonds (distance) C4'-P energy: -82.365
bonds (distance) P-C4' energy: -73.746
flat angles C4'-P-C4' energy: -77.049
flat angles P-C4'-P energy: -50.094
tors. eta vs tors. theta energy: -109.095
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: 57
Temperature: 1.000000
Total energy: -1225.610383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.610383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.610383 (E_RNA)
where:
Base-Base interactions energy: -855.611
where: short stacking energy: -353.266
Base-Backbone interact. energy: -2.081
local terms energy: -367.918428
where:
bonds (distance) C4'-P energy: -63.423
bonds (distance) P-C4' energy: -57.696
flat angles C4'-P-C4' energy: -88.367
flat angles P-C4'-P energy: -60.895
tors. eta vs tors. theta energy: -97.537
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: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1200.327279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.327279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.327279 (E_RNA)
where:
Base-Base interactions energy: -839.976
where: short stacking energy: -359.168
Base-Backbone interact. energy: -1.336
local terms energy: -359.015129
where:
bonds (distance) C4'-P energy: -64.828
bonds (distance) P-C4' energy: -64.222
flat angles C4'-P-C4' energy: -83.610
flat angles P-C4'-P energy: -51.045
tors. eta vs tors. theta energy: -95.311
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: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1119.379973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.379973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.379973 (E_RNA)
where:
Base-Base interactions energy: -802.114
where: short stacking energy: -325.618
Base-Backbone interact. energy: 0.071
local terms energy: -317.337460
where:
bonds (distance) C4'-P energy: -59.558
bonds (distance) P-C4' energy: -60.295
flat angles C4'-P-C4' energy: -76.766
flat angles P-C4'-P energy: -39.267
tors. eta vs tors. theta energy: -81.452
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: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1086.237626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.237626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.237626 (E_RNA)
where:
Base-Base interactions energy: -768.790
where: short stacking energy: -318.167
Base-Backbone interact. energy: 1.585
local terms energy: -319.032357
where:
bonds (distance) C4'-P energy: -61.479
bonds (distance) P-C4' energy: -64.756
flat angles C4'-P-C4' energy: -65.022
flat angles P-C4'-P energy: -40.033
tors. eta vs tors. theta energy: -87.742
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: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1000.026136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.026136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.026136 (E_RNA)
where:
Base-Base interactions energy: -684.914
where: short stacking energy: -286.281
Base-Backbone interact. energy: 1.911
local terms energy: -317.023345
where:
bonds (distance) C4'-P energy: -65.166
bonds (distance) P-C4' energy: -68.911
flat angles C4'-P-C4' energy: -70.610
flat angles P-C4'-P energy: -48.317
tors. eta vs tors. theta energy: -64.019
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: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -855.886719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.886719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.886719 (E_RNA)
where:
Base-Base interactions energy: -574.561
where: short stacking energy: -238.655
Base-Backbone interact. energy: 0.430
local terms energy: -281.756026
where:
bonds (distance) C4'-P energy: -59.062
bonds (distance) P-C4' energy: -56.611
flat angles C4'-P-C4' energy: -68.543
flat angles P-C4'-P energy: -34.627
tors. eta vs tors. theta energy: -62.913
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: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -758.920067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.920067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.920067 (E_RNA)
where:
Base-Base interactions energy: -515.998
where: short stacking energy: -218.829
Base-Backbone interact. energy: -1.580
local terms energy: -241.341912
where:
bonds (distance) C4'-P energy: -53.886
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -62.115
flat angles P-C4'-P energy: -27.422
tors. eta vs tors. theta energy: -40.582
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: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -625.496840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.496840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.496840 (E_RNA)
where:
Base-Base interactions energy: -384.420
where: short stacking energy: -175.086
Base-Backbone interact. energy: -0.783
local terms energy: -240.294316
where:
bonds (distance) C4'-P energy: -63.624
bonds (distance) P-C4' energy: -62.741
flat angles C4'-P-C4' energy: -58.712
flat angles P-C4'-P energy: -33.184
tors. eta vs tors. theta energy: -22.033
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: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1310.974788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.974788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.974788 (E_RNA)
where:
Base-Base interactions energy: -916.375
where: short stacking energy: -387.943
Base-Backbone interact. energy: -2.603
local terms energy: -391.997290
where:
bonds (distance) C4'-P energy: -71.022
bonds (distance) P-C4' energy: -81.258
flat angles C4'-P-C4' energy: -80.817
flat angles P-C4'-P energy: -49.764
tors. eta vs tors. theta energy: -109.136
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: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1233.396939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.396939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.396939 (E_RNA)
where:
Base-Base interactions energy: -856.956
where: short stacking energy: -335.171
Base-Backbone interact. energy: -1.470
local terms energy: -374.971402
where:
bonds (distance) C4'-P energy: -70.727
bonds (distance) P-C4' energy: -82.883
flat angles C4'-P-C4' energy: -75.484
flat angles P-C4'-P energy: -59.888
tors. eta vs tors. theta energy: -85.989
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: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1247.162391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.162391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.162391 (E_RNA)
where:
Base-Base interactions energy: -869.865
where: short stacking energy: -369.795
Base-Backbone interact. energy: 0.282
local terms energy: -377.579486
where:
bonds (distance) C4'-P energy: -77.423
bonds (distance) P-C4' energy: -71.141
flat angles C4'-P-C4' energy: -82.183
flat angles P-C4'-P energy: -46.050
tors. eta vs tors. theta energy: -100.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1218.935969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.935969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.935969 (E_RNA)
where:
Base-Base interactions energy: -827.750
where: short stacking energy: -355.036
Base-Backbone interact. energy: -2.834
local terms energy: -388.351783
where:
bonds (distance) C4'-P energy: -73.205
bonds (distance) P-C4' energy: -85.623
flat angles C4'-P-C4' energy: -85.716
flat angles P-C4'-P energy: -56.051
tors. eta vs tors. theta energy: -87.756
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: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1137.719171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.719171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.719171 (E_RNA)
where:
Base-Base interactions energy: -782.618
where: short stacking energy: -335.066
Base-Backbone interact. energy: -2.527
local terms energy: -352.574495
where:
bonds (distance) C4'-P energy: -65.046
bonds (distance) P-C4' energy: -74.875
flat angles C4'-P-C4' energy: -72.516
flat angles P-C4'-P energy: -56.725
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: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1113.676844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.676844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.676844 (E_RNA)
where:
Base-Base interactions energy: -774.668
where: short stacking energy: -341.191
Base-Backbone interact. energy: -0.482
local terms energy: -338.526934
where:
bonds (distance) C4'-P energy: -64.792
bonds (distance) P-C4' energy: -66.918
flat angles C4'-P-C4' energy: -72.539
flat angles P-C4'-P energy: -44.772
tors. eta vs tors. theta energy: -89.506
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: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -988.320835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.320835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.320835 (E_RNA)
where:
Base-Base interactions energy: -681.815
where: short stacking energy: -280.151
Base-Backbone interact. energy: 2.749
local terms energy: -309.255167
where:
bonds (distance) C4'-P energy: -54.392
bonds (distance) P-C4' energy: -64.519
flat angles C4'-P-C4' energy: -65.291
flat angles P-C4'-P energy: -52.609
tors. eta vs tors. theta energy: -72.444
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: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -894.304240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.304240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.304240 (E_RNA)
where:
Base-Base interactions energy: -588.325
where: short stacking energy: -254.307
Base-Backbone interact. energy: -0.981
local terms energy: -304.998741
where:
bonds (distance) C4'-P energy: -65.694
bonds (distance) P-C4' energy: -67.945
flat angles C4'-P-C4' energy: -66.021
flat angles P-C4'-P energy: -41.096
tors. eta vs tors. theta energy: -64.243
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: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -750.014196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.014196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.014196 (E_RNA)
where:
Base-Base interactions energy: -479.843
where: short stacking energy: -205.860
Base-Backbone interact. energy: -0.321
local terms energy: -269.850373
where:
bonds (distance) C4'-P energy: -73.341
bonds (distance) P-C4' energy: -63.277
flat angles C4'-P-C4' energy: -64.353
flat angles P-C4'-P energy: -37.128
tors. eta vs tors. theta energy: -31.752
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: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -622.120987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.120987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.120987 (E_RNA)
where:
Base-Base interactions energy: -371.103
where: short stacking energy: -174.408
Base-Backbone interact. energy: -1.098
local terms energy: -249.920536
where:
bonds (distance) C4'-P energy: -60.741
bonds (distance) P-C4' energy: -70.052
flat angles C4'-P-C4' energy: -69.669
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -26.849
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: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1324.103789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.103789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.103789 (E_RNA)
where:
Base-Base interactions energy: -924.383
where: short stacking energy: -387.299
Base-Backbone interact. energy: -0.927
local terms energy: -398.793681
where:
bonds (distance) C4'-P energy: -70.345
bonds (distance) P-C4' energy: -73.080
flat angles C4'-P-C4' energy: -86.627
flat angles P-C4'-P energy: -59.445
tors. eta vs tors. theta energy: -109.297
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: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1264.338635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.338635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.338635 (E_RNA)
where:
Base-Base interactions energy: -874.980
where: short stacking energy: -372.406
Base-Backbone interact. energy: -3.452
local terms energy: -385.906697
where:
bonds (distance) C4'-P energy: -74.868
bonds (distance) P-C4' energy: -80.437
flat angles C4'-P-C4' energy: -82.537
flat angles P-C4'-P energy: -54.303
tors. eta vs tors. theta energy: -93.762
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: 59
Temperature: 1.000000
Total energy: -1199.282149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.282149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.282149 (E_RNA)
where:
Base-Base interactions energy: -861.868
where: short stacking energy: -341.352
Base-Backbone interact. energy: 0.141
local terms energy: -337.555453
where:
bonds (distance) C4'-P energy: -71.730
bonds (distance) P-C4' energy: -65.354
flat angles C4'-P-C4' energy: -73.477
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -79.520
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: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1206.120008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.120008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.120008 (E_RNA)
where:
Base-Base interactions energy: -844.615
where: short stacking energy: -352.956
Base-Backbone interact. energy: 2.556
local terms energy: -364.060782
where:
bonds (distance) C4'-P energy: -62.584
bonds (distance) P-C4' energy: -66.118
flat angles C4'-P-C4' energy: -84.683
flat angles P-C4'-P energy: -53.061
tors. eta vs tors. theta energy: -97.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1153.384434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.384434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.384434 (E_RNA)
where:
Base-Base interactions energy: -813.837
where: short stacking energy: -336.343
Base-Backbone interact. energy: -3.519
local terms energy: -336.028112
where:
bonds (distance) C4'-P energy: -60.890
bonds (distance) P-C4' energy: -66.450
flat angles C4'-P-C4' energy: -78.679
flat angles P-C4'-P energy: -48.788
tors. eta vs tors. theta energy: -81.221
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: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1089.837750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.837750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.837750 (E_RNA)
where:
Base-Base interactions energy: -754.494
where: short stacking energy: -315.601
Base-Backbone interact. energy: -1.417
local terms energy: -333.926973
where:
bonds (distance) C4'-P energy: -68.905
bonds (distance) P-C4' energy: -74.219
flat angles C4'-P-C4' energy: -71.211
flat angles P-C4'-P energy: -42.206
tors. eta vs tors. theta energy: -77.386
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: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1009.203264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.203264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.203264 (E_RNA)
where:
Base-Base interactions energy: -680.000
where: short stacking energy: -289.231
Base-Backbone interact. energy: -1.193
local terms energy: -328.010568
where:
bonds (distance) C4'-P energy: -64.611
bonds (distance) P-C4' energy: -73.432
flat angles C4'-P-C4' energy: -72.137
flat angles P-C4'-P energy: -46.227
tors. eta vs tors. theta energy: -71.604
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: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -858.429334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.429334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.429334 (E_RNA)
where:
Base-Base interactions energy: -575.686
where: short stacking energy: -255.754
Base-Backbone interact. energy: -0.000
local terms energy: -282.742878
where:
bonds (distance) C4'-P energy: -54.829
bonds (distance) P-C4' energy: -59.497
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -52.070
tors. eta vs tors. theta energy: -56.033
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: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -726.921257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.921257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.921257 (E_RNA)
where:
Base-Base interactions energy: -468.956
where: short stacking energy: -202.654
Base-Backbone interact. energy: -1.092
local terms energy: -256.873080
where:
bonds (distance) C4'-P energy: -55.554
bonds (distance) P-C4' energy: -70.710
flat angles C4'-P-C4' energy: -56.256
flat angles P-C4'-P energy: -30.851
tors. eta vs tors. theta energy: -43.503
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: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -630.611468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.611468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.611468 (E_RNA)
where:
Base-Base interactions energy: -390.112
where: short stacking energy: -191.407
Base-Backbone interact. energy: -0.042
local terms energy: -240.456685
where:
bonds (distance) C4'-P energy: -52.072
bonds (distance) P-C4' energy: -56.758
flat angles C4'-P-C4' energy: -68.365
flat angles P-C4'-P energy: -34.925
tors. eta vs tors. theta energy: -28.335
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: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1333.566475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.566475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.566475 (E_RNA)
where:
Base-Base interactions energy: -946.070
where: short stacking energy: -399.097
Base-Backbone interact. energy: -1.639
local terms energy: -385.857379
where:
bonds (distance) C4'-P energy: -68.149
bonds (distance) P-C4' energy: -79.324
flat angles C4'-P-C4' energy: -75.872
flat angles P-C4'-P energy: -52.885
tors. eta vs tors. theta energy: -109.626
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: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1244.326681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.326681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.326681 (E_RNA)
where:
Base-Base interactions energy: -862.833
where: short stacking energy: -367.344
Base-Backbone interact. energy: 3.152
local terms energy: -384.646319
where:
bonds (distance) C4'-P energy: -77.276
bonds (distance) P-C4' energy: -69.995
flat angles C4'-P-C4' energy: -82.116
flat angles P-C4'-P energy: -56.871
tors. eta vs tors. theta energy: -98.388
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: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1231.747017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.747017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.747017 (E_RNA)
where:
Base-Base interactions energy: -858.137
where: short stacking energy: -369.430
Base-Backbone interact. energy: -0.791
local terms energy: -372.819666
where:
bonds (distance) C4'-P energy: -71.186
bonds (distance) P-C4' energy: -77.928
flat angles C4'-P-C4' energy: -81.550
flat angles P-C4'-P energy: -40.770
tors. eta vs tors. theta energy: -101.385
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: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1177.468022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.468022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.468022 (E_RNA)
where:
Base-Base interactions energy: -839.443
where: short stacking energy: -332.113
Base-Backbone interact. energy: -1.933
local terms energy: -336.091377
where:
bonds (distance) C4'-P energy: -72.087
bonds (distance) P-C4' energy: -58.056
flat angles C4'-P-C4' energy: -72.108
flat angles P-C4'-P energy: -44.585
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: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1133.432513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.432513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.432513 (E_RNA)
where:
Base-Base interactions energy: -792.698
where: short stacking energy: -318.083
Base-Backbone interact. energy: -0.787
local terms energy: -339.947563
where:
bonds (distance) C4'-P energy: -63.637
bonds (distance) P-C4' energy: -67.246
flat angles C4'-P-C4' energy: -78.596
flat angles P-C4'-P energy: -53.497
tors. eta vs tors. theta energy: -76.972
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: 60
Temperature: 1.150000
Total energy: -1087.840828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.840828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.840828 (E_RNA)
where:
Base-Base interactions energy: -766.457
where: short stacking energy: -337.062
Base-Backbone interact. energy: -0.158
local terms energy: -321.225422
where:
bonds (distance) C4'-P energy: -63.878
bonds (distance) P-C4' energy: -66.448
flat angles C4'-P-C4' energy: -68.302
flat angles P-C4'-P energy: -38.424
tors. eta vs tors. theta energy: -84.174
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: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -981.207336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.207336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.207336 (E_RNA)
where:
Base-Base interactions energy: -685.322
where: short stacking energy: -287.220
Base-Backbone interact. energy: 0.273
local terms energy: -296.157539
where:
bonds (distance) C4'-P energy: -52.238
bonds (distance) P-C4' energy: -60.193
flat angles C4'-P-C4' energy: -74.306
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: -63.037
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: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -845.630053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.630053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.630053 (E_RNA)
where:
Base-Base interactions energy: -552.973
where: short stacking energy: -256.307
Base-Backbone interact. energy: -1.577
local terms energy: -291.079949
where:
bonds (distance) C4'-P energy: -59.664
bonds (distance) P-C4' energy: -62.182
flat angles C4'-P-C4' energy: -67.236
flat angles P-C4'-P energy: -45.685
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: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -737.510142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.510142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.510142 (E_RNA)
where:
Base-Base interactions energy: -487.877
where: short stacking energy: -207.819
Base-Backbone interact. energy: -0.894
local terms energy: -248.739387
where:
bonds (distance) C4'-P energy: -53.590
bonds (distance) P-C4' energy: -61.049
flat angles C4'-P-C4' energy: -54.244
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -37.247
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: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -630.720633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.720633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.720633 (E_RNA)
where:
Base-Base interactions energy: -405.828
where: short stacking energy: -189.638
Base-Backbone interact. energy: 1.331
local terms energy: -226.223227
where:
bonds (distance) C4'-P energy: -52.444
bonds (distance) P-C4' energy: -68.353
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -32.280
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: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1332.590283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.590283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.590283 (E_RNA)
where:
Base-Base interactions energy: -940.644
where: short stacking energy: -380.819
Base-Backbone interact. energy: -0.591
local terms energy: -391.354661
where:
bonds (distance) C4'-P energy: -75.584
bonds (distance) P-C4' energy: -73.561
flat angles C4'-P-C4' energy: -83.782
flat angles P-C4'-P energy: -53.284
tors. eta vs tors. theta energy: -105.144
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: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1257.731449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.731449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.731449 (E_RNA)
where:
Base-Base interactions energy: -886.851
where: short stacking energy: -371.549
Base-Backbone interact. energy: -0.525
local terms energy: -370.355292
where:
bonds (distance) C4'-P energy: -66.674
bonds (distance) P-C4' energy: -77.482
flat angles C4'-P-C4' energy: -85.529
flat angles P-C4'-P energy: -46.397
tors. eta vs tors. theta energy: -94.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1219.941711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.941711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.941711 (E_RNA)
where:
Base-Base interactions energy: -856.444
where: short stacking energy: -355.470
Base-Backbone interact. energy: -1.784
local terms energy: -361.713759
where:
bonds (distance) C4'-P energy: -63.751
bonds (distance) P-C4' energy: -73.148
flat angles C4'-P-C4' energy: -77.164
flat angles P-C4'-P energy: -58.425
tors. eta vs tors. theta energy: -89.227
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: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1195.452258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.452258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.452258 (E_RNA)
where:
Base-Base interactions energy: -850.537
where: short stacking energy: -350.921
Base-Backbone interact. energy: -1.724
local terms energy: -343.191317
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -71.674
flat angles C4'-P-C4' energy: -74.915
flat angles P-C4'-P energy: -43.747
tors. eta vs tors. theta energy: -97.920
Dist. restrs. and SS energy: 0.000 (S_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: 61
Temperature: 1.100000
Total energy: -1122.069186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.069186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.069186 (E_RNA)
where:
Base-Base interactions energy: -782.667
where: short stacking energy: -329.413
Base-Backbone interact. energy: -2.617
local terms energy: -336.785590
where:
bonds (distance) C4'-P energy: -65.596
bonds (distance) P-C4' energy: -67.917
flat angles C4'-P-C4' energy: -70.978
flat angles P-C4'-P energy: -49.443
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: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1068.990090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.990090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.990090 (E_RNA)
where:
Base-Base interactions energy: -730.959
where: short stacking energy: -293.185
Base-Backbone interact. energy: -3.311
local terms energy: -334.719379
where:
bonds (distance) C4'-P energy: -72.042
bonds (distance) P-C4' energy: -66.830
flat angles C4'-P-C4' energy: -75.814
flat angles P-C4'-P energy: -50.926
tors. eta vs tors. theta energy: -69.106
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: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -954.735786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.735786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.735786 (E_RNA)
where:
Base-Base interactions energy: -644.335
where: short stacking energy: -259.366
Base-Backbone interact. energy: 2.736
local terms energy: -313.136769
where:
bonds (distance) C4'-P energy: -67.458
bonds (distance) P-C4' energy: -75.006
flat angles C4'-P-C4' energy: -71.631
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: -62.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -767.460019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.460019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.460019 (E_RNA)
where:
Base-Base interactions energy: -494.211
where: short stacking energy: -220.078
Base-Backbone interact. energy: -2.063
local terms energy: -271.185731
where:
bonds (distance) C4'-P energy: -55.036
bonds (distance) P-C4' energy: -64.591
flat angles C4'-P-C4' energy: -75.043
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -38.415
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: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -820.742279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.742279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.742279 (E_RNA)
where:
Base-Base interactions energy: -532.380
where: short stacking energy: -231.583
Base-Backbone interact. energy: -2.175
local terms energy: -286.187549
where:
bonds (distance) C4'-P energy: -63.586
bonds (distance) P-C4' energy: -66.916
flat angles C4'-P-C4' energy: -72.543
flat angles P-C4'-P energy: -32.616
tors. eta vs tors. theta energy: -50.526
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: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -644.501649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.501649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.501649 (E_RNA)
where:
Base-Base interactions energy: -414.774
where: short stacking energy: -184.667
Base-Backbone interact. energy: -0.177
local terms energy: -229.550813
where:
bonds (distance) C4'-P energy: -56.215
bonds (distance) P-C4' energy: -59.997
flat angles C4'-P-C4' energy: -47.756
flat angles P-C4'-P energy: -31.506
tors. eta vs tors. theta energy: -34.077
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: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1294.949361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.949361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.949361 (E_RNA)
where:
Base-Base interactions energy: -906.362
where: short stacking energy: -369.765
Base-Backbone interact. energy: -0.196
local terms energy: -388.391502
where:
bonds (distance) C4'-P energy: -68.255
bonds (distance) P-C4' energy: -79.559
flat angles C4'-P-C4' energy: -88.678
flat angles P-C4'-P energy: -60.631
tors. eta vs tors. theta energy: -91.269
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: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1305.425482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.425482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.425482 (E_RNA)
where:
Base-Base interactions energy: -921.537
where: short stacking energy: -381.797
Base-Backbone interact. energy: 0.300
local terms energy: -384.188974
where:
bonds (distance) C4'-P energy: -69.943
bonds (distance) P-C4' energy: -77.058
flat angles C4'-P-C4' energy: -79.630
flat angles P-C4'-P energy: -52.416
tors. eta vs tors. theta energy: -105.142
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: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1229.219070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.219070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.219070 (E_RNA)
where:
Base-Base interactions energy: -844.554
where: short stacking energy: -352.490
Base-Backbone interact. energy: -1.566
local terms energy: -383.099320
where:
bonds (distance) C4'-P energy: -73.674
bonds (distance) P-C4' energy: -69.981
flat angles C4'-P-C4' energy: -90.015
flat angles P-C4'-P energy: -50.324
tors. eta vs tors. theta energy: -99.106
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: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1183.844721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.844721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.844721 (E_RNA)
where:
Base-Base interactions energy: -829.006
where: short stacking energy: -355.556
Base-Backbone interact. energy: -1.346
local terms energy: -353.492250
where:
bonds (distance) C4'-P energy: -56.431
bonds (distance) P-C4' energy: -65.597
flat angles C4'-P-C4' energy: -82.126
flat angles P-C4'-P energy: -52.910
tors. eta vs tors. theta energy: -96.427
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: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1092.778801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.778801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.778801 (E_RNA)
where:
Base-Base interactions energy: -756.098
where: short stacking energy: -341.658
Base-Backbone interact. energy: 2.344
local terms energy: -339.024760
where:
bonds (distance) C4'-P energy: -67.635
bonds (distance) P-C4' energy: -70.919
flat angles C4'-P-C4' energy: -61.560
flat angles P-C4'-P energy: -56.185
tors. eta vs tors. theta energy: -82.725
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: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1051.994892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.994892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.994892 (E_RNA)
where:
Base-Base interactions energy: -750.408
where: short stacking energy: -311.306
Base-Backbone interact. energy: 0.290
local terms energy: -301.876469
where:
bonds (distance) C4'-P energy: -58.480
bonds (distance) P-C4' energy: -48.416
flat angles C4'-P-C4' energy: -67.800
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: -86.656
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: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -925.059241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.059241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.059241 (E_RNA)
where:
Base-Base interactions energy: -629.459
where: short stacking energy: -261.155
Base-Backbone interact. energy: 2.602
local terms energy: -298.202292
where:
bonds (distance) C4'-P energy: -51.268
bonds (distance) P-C4' energy: -75.755
flat angles C4'-P-C4' energy: -59.501
flat angles P-C4'-P energy: -50.054
tors. eta vs tors. theta energy: -61.625
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: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -869.219110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.219110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.219110 (E_RNA)
where:
Base-Base interactions energy: -587.254
where: short stacking energy: -249.432
Base-Backbone interact. energy: -4.260
local terms energy: -277.705322
where:
bonds (distance) C4'-P energy: -56.073
bonds (distance) P-C4' energy: -60.005
flat angles C4'-P-C4' energy: -70.392
flat angles P-C4'-P energy: -36.721
tors. eta vs tors. theta energy: -54.514
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: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -787.436578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.436578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.436578 (E_RNA)
where:
Base-Base interactions energy: -509.180
where: short stacking energy: -235.703
Base-Backbone interact. energy: -2.205
local terms energy: -276.051802
where:
bonds (distance) C4'-P energy: -66.533
bonds (distance) P-C4' energy: -68.410
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -44.455
tors. eta vs tors. theta energy: -42.901
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: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -626.035692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.035692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.035692 (E_RNA)
where:
Base-Base interactions energy: -383.813
where: short stacking energy: -173.046
Base-Backbone interact. energy: -0.448
local terms energy: -241.774564
where:
bonds (distance) C4'-P energy: -66.576
bonds (distance) P-C4' energy: -53.901
flat angles C4'-P-C4' energy: -74.873
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -23.209
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: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1303.993806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.993806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.993806 (E_RNA)
where:
Base-Base interactions energy: -894.449
where: short stacking energy: -396.186
Base-Backbone interact. energy: -1.077
local terms energy: -408.467844
where:
bonds (distance) C4'-P energy: -72.990
bonds (distance) P-C4' energy: -87.168
flat angles C4'-P-C4' energy: -83.646
flat angles P-C4'-P energy: -54.039
tors. eta vs tors. theta energy: -110.623
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: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1294.983440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.983440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.983440 (E_RNA)
where:
Base-Base interactions energy: -916.518
where: short stacking energy: -400.261
Base-Backbone interact. energy: -1.750
local terms energy: -376.715640
where:
bonds (distance) C4'-P energy: -75.204
bonds (distance) P-C4' energy: -64.930
flat angles C4'-P-C4' energy: -74.190
flat angles P-C4'-P energy: -53.658
tors. eta vs tors. theta energy: -108.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1219.379088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.379088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.379088 (E_RNA)
where:
Base-Base interactions energy: -827.645
where: short stacking energy: -358.080
Base-Backbone interact. energy: 1.012
local terms energy: -392.745739
where:
bonds (distance) C4'-P energy: -83.768
bonds (distance) P-C4' energy: -73.404
flat angles C4'-P-C4' energy: -75.771
flat angles P-C4'-P energy: -56.504
tors. eta vs tors. theta energy: -103.298
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: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1219.634447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.634447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.634447 (E_RNA)
where:
Base-Base interactions energy: -849.490
where: short stacking energy: -341.565
Base-Backbone interact. energy: -3.177
local terms energy: -366.967290
where:
bonds (distance) C4'-P energy: -67.104
bonds (distance) P-C4' energy: -74.461
flat angles C4'-P-C4' energy: -75.203
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -95.918
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: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1084.618158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.618158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.618158 (E_RNA)
where:
Base-Base interactions energy: -742.129
where: short stacking energy: -308.327
Base-Backbone interact. energy: -3.283
local terms energy: -339.206877
where:
bonds (distance) C4'-P energy: -71.565
bonds (distance) P-C4' energy: -67.860
flat angles C4'-P-C4' energy: -68.697
flat angles P-C4'-P energy: -47.688
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: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1051.116334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.116334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.116334 (E_RNA)
where:
Base-Base interactions energy: -725.647
where: short stacking energy: -295.235
Base-Backbone interact. energy: 3.697
local terms energy: -329.165796
where:
bonds (distance) C4'-P energy: -55.437
bonds (distance) P-C4' energy: -69.721
flat angles C4'-P-C4' energy: -66.851
flat angles P-C4'-P energy: -55.590
tors. eta vs tors. theta energy: -81.567
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: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -935.879432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.879432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.879432 (E_RNA)
where:
Base-Base interactions energy: -630.984
where: short stacking energy: -276.833
Base-Backbone interact. energy: -1.181
local terms energy: -303.714427
where:
bonds (distance) C4'-P energy: -59.010
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -65.983
flat angles P-C4'-P energy: -58.546
tors. eta vs tors. theta energy: -59.393
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: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -909.240611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.240611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.240611 (E_RNA)
where:
Base-Base interactions energy: -620.311
where: short stacking energy: -269.314
Base-Backbone interact. energy: -4.120
local terms energy: -284.809810
where:
bonds (distance) C4'-P energy: -49.302
bonds (distance) P-C4' energy: -69.441
flat angles C4'-P-C4' energy: -70.671
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -61.500
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: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -865.815370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.815370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.815370 (E_RNA)
where:
Base-Base interactions energy: -575.373
where: short stacking energy: -255.574
Base-Backbone interact. energy: -0.462
local terms energy: -289.980085
where:
bonds (distance) C4'-P energy: -61.799
bonds (distance) P-C4' energy: -61.525
flat angles C4'-P-C4' energy: -65.359
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -52.585
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: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -616.853193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.853193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.853193 (E_RNA)
where:
Base-Base interactions energy: -406.479
where: short stacking energy: -191.274
Base-Backbone interact. energy: 2.865
local terms energy: -213.239381
where:
bonds (distance) C4'-P energy: -54.933
bonds (distance) P-C4' energy: -56.185
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -19.993
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: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1332.742622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.742622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.742622 (E_RNA)
where:
Base-Base interactions energy: -916.612
where: short stacking energy: -387.096
Base-Backbone interact. energy: -1.498
local terms energy: -414.633514
where:
bonds (distance) C4'-P energy: -69.721
bonds (distance) P-C4' energy: -81.425
flat angles C4'-P-C4' energy: -87.852
flat angles P-C4'-P energy: -64.905
tors. eta vs tors. theta energy: -110.731
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: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1271.639290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.639290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.639290 (E_RNA)
where:
Base-Base interactions energy: -881.853
where: short stacking energy: -375.181
Base-Backbone interact. energy: 0.588
local terms energy: -390.374553
where:
bonds (distance) C4'-P energy: -71.553
bonds (distance) P-C4' energy: -78.735
flat angles C4'-P-C4' energy: -85.101
flat angles P-C4'-P energy: -52.321
tors. eta vs tors. theta energy: -102.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1217.339288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.339288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.339288 (E_RNA)
where:
Base-Base interactions energy: -847.730
where: short stacking energy: -362.090
Base-Backbone interact. energy: -2.763
local terms energy: -366.846214
where:
bonds (distance) C4'-P energy: -68.977
bonds (distance) P-C4' energy: -72.775
flat angles C4'-P-C4' energy: -83.068
flat angles P-C4'-P energy: -48.686
tors. eta vs tors. theta energy: -93.341
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: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1236.041650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.041650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.041650 (E_RNA)
where:
Base-Base interactions energy: -871.965
where: short stacking energy: -373.918
Base-Backbone interact. energy: -2.483
local terms energy: -361.593648
where:
bonds (distance) C4'-P energy: -59.550
bonds (distance) P-C4' energy: -64.793
flat angles C4'-P-C4' energy: -80.572
flat angles P-C4'-P energy: -49.633
tors. eta vs tors. theta energy: -107.045
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: 5, replica: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1108.576085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.576085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.576085 (E_RNA)
where:
Base-Base interactions energy: -782.710
where: short stacking energy: -327.543
Base-Backbone interact. energy: -2.119
local terms energy: -323.746671
where:
bonds (distance) C4'-P energy: -57.664
bonds (distance) P-C4' energy: -70.776
flat angles C4'-P-C4' energy: -78.161
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -81.814
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: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1071.643527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.643527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.643527 (E_RNA)
where:
Base-Base interactions energy: -727.746
where: short stacking energy: -294.169
Base-Backbone interact. energy: 2.533
local terms energy: -346.430028
where:
bonds (distance) C4'-P energy: -63.808
bonds (distance) P-C4' energy: -73.198
flat angles C4'-P-C4' energy: -76.625
flat angles P-C4'-P energy: -53.476
tors. eta vs tors. theta energy: -79.322
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: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -939.600073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.600073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.600073 (E_RNA)
where:
Base-Base interactions energy: -644.830
where: short stacking energy: -248.308
Base-Backbone interact. energy: 2.840
local terms energy: -297.609748
where:
bonds (distance) C4'-P energy: -60.123
bonds (distance) P-C4' energy: -65.858
flat angles C4'-P-C4' energy: -71.347
flat angles P-C4'-P energy: -43.805
tors. eta vs tors. theta energy: -56.476
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: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -892.821780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.821780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.821780 (E_RNA)
where:
Base-Base interactions energy: -604.910
where: short stacking energy: -257.885
Base-Backbone interact. energy: 1.854
local terms energy: -289.765790
where:
bonds (distance) C4'-P energy: -63.823
bonds (distance) P-C4' energy: -57.915
flat angles C4'-P-C4' energy: -73.645
flat angles P-C4'-P energy: -43.662
tors. eta vs tors. theta energy: -50.721
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: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -837.398137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.398137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.398137 (E_RNA)
where:
Base-Base interactions energy: -551.627
where: short stacking energy: -267.799
Base-Backbone interact. energy: 0.788
local terms energy: -286.558873
where:
bonds (distance) C4'-P energy: -46.443
bonds (distance) P-C4' energy: -66.761
flat angles C4'-P-C4' energy: -59.779
flat angles P-C4'-P energy: -50.532
tors. eta vs tors. theta energy: -63.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -611.416552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.416552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.416552 (E_RNA)
where:
Base-Base interactions energy: -373.988
where: short stacking energy: -168.541
Base-Backbone interact. energy: 0.798
local terms energy: -238.226349
where:
bonds (distance) C4'-P energy: -54.597
bonds (distance) P-C4' energy: -62.499
flat angles C4'-P-C4' energy: -58.394
flat angles P-C4'-P energy: -30.699
tors. eta vs tors. theta energy: -32.039
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: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1325.663585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.663585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.663585 (E_RNA)
where:
Base-Base interactions energy: -930.034
where: short stacking energy: -395.295
Base-Backbone interact. energy: -1.486
local terms energy: -394.143555
where:
bonds (distance) C4'-P energy: -67.322
bonds (distance) P-C4' energy: -82.682
flat angles C4'-P-C4' energy: -76.115
flat angles P-C4'-P energy: -56.923
tors. eta vs tors. theta energy: -111.102
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: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1276.788890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.788890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.788890 (E_RNA)
where:
Base-Base interactions energy: -885.104
where: short stacking energy: -382.523
Base-Backbone interact. energy: -0.041
local terms energy: -391.643975
where:
bonds (distance) C4'-P energy: -78.436
bonds (distance) P-C4' energy: -74.138
flat angles C4'-P-C4' energy: -77.998
flat angles P-C4'-P energy: -54.198
tors. eta vs tors. theta energy: -106.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1239.311354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.311354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.311354 (E_RNA)
where:
Base-Base interactions energy: -880.586
where: short stacking energy: -354.019
Base-Backbone interact. energy: -1.506
local terms energy: -357.219752
where:
bonds (distance) C4'-P energy: -76.982
bonds (distance) P-C4' energy: -58.817
flat angles C4'-P-C4' energy: -81.154
flat angles P-C4'-P energy: -44.528
tors. eta vs tors. theta energy: -95.740
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: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1238.567777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.567777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.567777 (E_RNA)
where:
Base-Base interactions energy: -863.633
where: short stacking energy: -356.311
Base-Backbone interact. energy: 0.408
local terms energy: -375.343158
where:
bonds (distance) C4'-P energy: -68.234
bonds (distance) P-C4' energy: -74.617
flat angles C4'-P-C4' energy: -84.330
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: -92.721
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: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1164.182530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.182530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.182530 (E_RNA)
where:
Base-Base interactions energy: -812.744
where: short stacking energy: -337.188
Base-Backbone interact. energy: -0.319
local terms energy: -351.120296
where:
bonds (distance) C4'-P energy: -70.740
bonds (distance) P-C4' energy: -71.609
flat angles C4'-P-C4' energy: -79.926
flat angles P-C4'-P energy: -44.431
tors. eta vs tors. theta energy: -84.414
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: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1071.301115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.301115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.301115 (E_RNA)
where:
Base-Base interactions energy: -739.846
where: short stacking energy: -312.977
Base-Backbone interact. energy: -1.731
local terms energy: -329.724091
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -72.676
flat angles C4'-P-C4' energy: -72.624
flat angles P-C4'-P energy: -40.243
tors. eta vs tors. theta energy: -82.493
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: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1020.269572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.269572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.269572 (E_RNA)
where:
Base-Base interactions energy: -683.287
where: short stacking energy: -312.548
Base-Backbone interact. energy: -0.548
local terms energy: -336.435403
where:
bonds (distance) C4'-P energy: -70.380
bonds (distance) P-C4' energy: -66.084
flat angles C4'-P-C4' energy: -75.253
flat angles P-C4'-P energy: -49.046
tors. eta vs tors. theta energy: -75.672
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: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -818.119794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.119794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.119794 (E_RNA)
where:
Base-Base interactions energy: -551.312
where: short stacking energy: -245.684
Base-Backbone interact. energy: -1.001
local terms energy: -265.807387
where:
bonds (distance) C4'-P energy: -62.596
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -68.227
flat angles P-C4'-P energy: -44.543
tors. eta vs tors. theta energy: -39.414
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: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -841.096015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.096015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.096015 (E_RNA)
where:
Base-Base interactions energy: -582.426
where: short stacking energy: -254.315
Base-Backbone interact. energy: -1.615
local terms energy: -257.054889
where:
bonds (distance) C4'-P energy: -53.246
bonds (distance) P-C4' energy: -56.253
flat angles C4'-P-C4' energy: -62.212
flat angles P-C4'-P energy: -43.784
tors. eta vs tors. theta energy: -41.559
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: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -596.283335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.283335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.283335 (E_RNA)
where:
Base-Base interactions energy: -354.522
where: short stacking energy: -160.143
Base-Backbone interact. energy: -2.399
local terms energy: -239.362600
where:
bonds (distance) C4'-P energy: -53.593
bonds (distance) P-C4' energy: -64.516
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -39.256
tors. eta vs tors. theta energy: -32.984
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: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1331.549541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.549541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.549541 (E_RNA)
where:
Base-Base interactions energy: -939.492
where: short stacking energy: -386.348
Base-Backbone interact. energy: -2.584
local terms energy: -389.472898
where:
bonds (distance) C4'-P energy: -62.783
bonds (distance) P-C4' energy: -79.555
flat angles C4'-P-C4' energy: -85.146
flat angles P-C4'-P energy: -55.592
tors. eta vs tors. theta energy: -106.397
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: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1276.004725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.004725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.004725 (E_RNA)
where:
Base-Base interactions energy: -893.050
where: short stacking energy: -387.350
Base-Backbone interact. energy: -0.968
local terms energy: -381.986685
where:
bonds (distance) C4'-P energy: -70.660
bonds (distance) P-C4' energy: -78.333
flat angles C4'-P-C4' energy: -86.476
flat angles P-C4'-P energy: -50.265
tors. eta vs tors. theta energy: -96.252
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: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1242.977470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.977470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.977470 (E_RNA)
where:
Base-Base interactions energy: -857.338
where: short stacking energy: -351.445
Base-Backbone interact. energy: -1.018
local terms energy: -384.620871
where:
bonds (distance) C4'-P energy: -78.374
bonds (distance) P-C4' energy: -69.404
flat angles C4'-P-C4' energy: -86.291
flat angles P-C4'-P energy: -55.778
tors. eta vs tors. theta energy: -94.774
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: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1200.159636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.159636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.159636 (E_RNA)
where:
Base-Base interactions energy: -849.798
where: short stacking energy: -336.876
Base-Backbone interact. energy: 2.547
local terms energy: -352.908919
where:
bonds (distance) C4'-P energy: -65.673
bonds (distance) P-C4' energy: -69.952
flat angles C4'-P-C4' energy: -70.473
flat angles P-C4'-P energy: -58.595
tors. eta vs tors. theta energy: -88.216
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: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1151.401915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.401915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.401915 (E_RNA)
where:
Base-Base interactions energy: -804.506
where: short stacking energy: -339.095
Base-Backbone interact. energy: -1.123
local terms energy: -345.772818
where:
bonds (distance) C4'-P energy: -70.184
bonds (distance) P-C4' energy: -74.156
flat angles C4'-P-C4' energy: -69.479
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -90.519
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: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1069.475599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.475599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.475599 (E_RNA)
where:
Base-Base interactions energy: -732.550
where: short stacking energy: -314.060
Base-Backbone interact. energy: -0.928
local terms energy: -335.997606
where:
bonds (distance) C4'-P energy: -61.929
bonds (distance) P-C4' energy: -71.240
flat angles C4'-P-C4' energy: -73.980
flat angles P-C4'-P energy: -46.173
tors. eta vs tors. theta energy: -82.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -999.363177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.363177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.363177 (E_RNA)
where:
Base-Base interactions energy: -683.466
where: short stacking energy: -272.016
Base-Backbone interact. energy: 0.866
local terms energy: -316.762842
where:
bonds (distance) C4'-P energy: -70.352
bonds (distance) P-C4' energy: -67.259
flat angles C4'-P-C4' energy: -74.851
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: -63.549
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: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -816.787405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.787405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.787405 (E_RNA)
where:
Base-Base interactions energy: -540.000
where: short stacking energy: -253.521
Base-Backbone interact. energy: 0.697
local terms energy: -277.483672
where:
bonds (distance) C4'-P energy: -65.077
bonds (distance) P-C4' energy: -53.205
flat angles C4'-P-C4' energy: -60.575
flat angles P-C4'-P energy: -43.472
tors. eta vs tors. theta energy: -55.154
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: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -781.622852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.622852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.622852 (E_RNA)
where:
Base-Base interactions energy: -535.259
where: short stacking energy: -232.713
Base-Backbone interact. energy: -1.890
local terms energy: -244.473642
where:
bonds (distance) C4'-P energy: -57.988
bonds (distance) P-C4' energy: -53.181
flat angles C4'-P-C4' energy: -59.793
flat angles P-C4'-P energy: -30.901
tors. eta vs tors. theta energy: -42.611
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: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -618.504869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.504869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.504869 (E_RNA)
where:
Base-Base interactions energy: -382.161
where: short stacking energy: -174.858
Base-Backbone interact. energy: -0.501
local terms energy: -235.843150
where:
bonds (distance) C4'-P energy: -55.619
bonds (distance) P-C4' energy: -70.497
flat angles C4'-P-C4' energy: -50.815
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: -29.193
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: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1327.366444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.366444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.366444 (E_RNA)
where:
Base-Base interactions energy: -928.093
where: short stacking energy: -377.217
Base-Backbone interact. energy: -4.345
local terms energy: -394.928313
where:
bonds (distance) C4'-P energy: -76.248
bonds (distance) P-C4' energy: -84.408
flat angles C4'-P-C4' energy: -68.865
flat angles P-C4'-P energy: -55.285
tors. eta vs tors. theta energy: -110.122
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: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1276.163054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.163054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.163054 (E_RNA)
where:
Base-Base interactions energy: -902.956
where: short stacking energy: -385.936
Base-Backbone interact. energy: -3.280
local terms energy: -369.927245
where:
bonds (distance) C4'-P energy: -61.865
bonds (distance) P-C4' energy: -68.328
flat angles C4'-P-C4' energy: -84.999
flat angles P-C4'-P energy: -54.589
tors. eta vs tors. theta energy: -100.146
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: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1224.512152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.512152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.512152 (E_RNA)
where:
Base-Base interactions energy: -856.779
where: short stacking energy: -354.021
Base-Backbone interact. energy: 0.030
local terms energy: -367.762559
where:
bonds (distance) C4'-P energy: -74.693
bonds (distance) P-C4' energy: -72.256
flat angles C4'-P-C4' energy: -83.561
flat angles P-C4'-P energy: -52.160
tors. eta vs tors. theta energy: -85.094
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: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1239.290859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.290859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.290859 (E_RNA)
where:
Base-Base interactions energy: -871.993
where: short stacking energy: -374.888
Base-Backbone interact. energy: -1.100
local terms energy: -366.197350
where:
bonds (distance) C4'-P energy: -67.818
bonds (distance) P-C4' energy: -71.031
flat angles C4'-P-C4' energy: -90.023
flat angles P-C4'-P energy: -42.461
tors. eta vs tors. theta energy: -94.863
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: 67
Temperature: 1.100000
Total energy: -1115.912783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.912783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.912783 (E_RNA)
where:
Base-Base interactions energy: -780.665
where: short stacking energy: -325.690
Base-Backbone interact. energy: -1.054
local terms energy: -334.194273
where:
bonds (distance) C4'-P energy: -65.282
bonds (distance) P-C4' energy: -56.341
flat angles C4'-P-C4' energy: -75.328
flat angles P-C4'-P energy: -48.518
tors. eta vs tors. theta energy: -88.724
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: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1059.023110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.023110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.023110 (E_RNA)
where:
Base-Base interactions energy: -731.137
where: short stacking energy: -311.100
Base-Backbone interact. energy: -1.043
local terms energy: -326.843950
where:
bonds (distance) C4'-P energy: -62.872
bonds (distance) P-C4' energy: -58.565
flat angles C4'-P-C4' energy: -79.097
flat angles P-C4'-P energy: -50.404
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: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -999.170217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.170217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.170217 (E_RNA)
where:
Base-Base interactions energy: -695.216
where: short stacking energy: -284.368
Base-Backbone interact. energy: -1.535
local terms energy: -302.419793
where:
bonds (distance) C4'-P energy: -57.602
bonds (distance) P-C4' energy: -66.010
flat angles C4'-P-C4' energy: -67.860
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -67.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -824.543946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.543946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.543946 (E_RNA)
where:
Base-Base interactions energy: -533.804
where: short stacking energy: -258.773
Base-Backbone interact. energy: -1.681
local terms energy: -289.058630
where:
bonds (distance) C4'-P energy: -62.113
bonds (distance) P-C4' energy: -65.129
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -45.603
tors. eta vs tors. theta energy: -60.154
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: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -779.446175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.446175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.446175 (E_RNA)
where:
Base-Base interactions energy: -533.670
where: short stacking energy: -215.067
Base-Backbone interact. energy: -0.965
local terms energy: -244.810631
where:
bonds (distance) C4'-P energy: -50.272
bonds (distance) P-C4' energy: -69.675
flat angles C4'-P-C4' energy: -64.073
flat angles P-C4'-P energy: -29.650
tors. eta vs tors. theta energy: -31.141
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -602.960351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.960351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.960351 (E_RNA)
where:
Base-Base interactions energy: -388.022
where: short stacking energy: -178.284
Base-Backbone interact. energy: 3.194
local terms energy: -218.132067
where:
bonds (distance) C4'-P energy: -55.249
bonds (distance) P-C4' energy: -63.844
flat angles C4'-P-C4' energy: -46.360
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -30.068
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: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1320.117617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.117617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.117617 (E_RNA)
where:
Base-Base interactions energy: -919.926
where: short stacking energy: -400.405
Base-Backbone interact. energy: -1.669
local terms energy: -398.522316
where:
bonds (distance) C4'-P energy: -79.227
bonds (distance) P-C4' energy: -71.132
flat angles C4'-P-C4' energy: -87.408
flat angles P-C4'-P energy: -51.737
tors. eta vs tors. theta energy: -109.018
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: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1278.712833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.712833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.712833 (E_RNA)
where:
Base-Base interactions energy: -911.138
where: short stacking energy: -390.693
Base-Backbone interact. energy: -2.265
local terms energy: -365.310410
where:
bonds (distance) C4'-P energy: -67.134
bonds (distance) P-C4' energy: -61.353
flat angles C4'-P-C4' energy: -81.596
flat angles P-C4'-P energy: -54.700
tors. eta vs tors. theta energy: -100.528
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: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1287.600305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.600305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.600305 (E_RNA)
where:
Base-Base interactions energy: -902.955
where: short stacking energy: -393.388
Base-Backbone interact. energy: -2.858
local terms energy: -381.787166
where:
bonds (distance) C4'-P energy: -72.856
bonds (distance) P-C4' energy: -59.382
flat angles C4'-P-C4' energy: -87.079
flat angles P-C4'-P energy: -53.666
tors. eta vs tors. theta energy: -108.804
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: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1240.422780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.422780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.422780 (E_RNA)
where:
Base-Base interactions energy: -879.179
where: short stacking energy: -367.552
Base-Backbone interact. energy: -1.861
local terms energy: -359.382407
where:
bonds (distance) C4'-P energy: -77.762
bonds (distance) P-C4' energy: -62.307
flat angles C4'-P-C4' energy: -77.290
flat angles P-C4'-P energy: -47.733
tors. eta vs tors. theta energy: -94.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1110.794743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.794743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.794743 (E_RNA)
where:
Base-Base interactions energy: -775.712
where: short stacking energy: -315.173
Base-Backbone interact. energy: -1.114
local terms energy: -333.969065
where:
bonds (distance) C4'-P energy: -63.536
bonds (distance) P-C4' energy: -65.103
flat angles C4'-P-C4' energy: -73.153
flat angles P-C4'-P energy: -48.493
tors. eta vs tors. theta energy: -83.684
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: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1127.230190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.230190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.230190 (E_RNA)
where:
Base-Base interactions energy: -797.549
where: short stacking energy: -331.384
Base-Backbone interact. energy: 0.106
local terms energy: -329.787796
where:
bonds (distance) C4'-P energy: -53.972
bonds (distance) P-C4' energy: -69.429
flat angles C4'-P-C4' energy: -81.432
flat angles P-C4'-P energy: -40.045
tors. eta vs tors. theta energy: -84.909
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: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -994.857441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.857441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.857441 (E_RNA)
where:
Base-Base interactions energy: -696.210
where: short stacking energy: -300.106
Base-Backbone interact. energy: 0.044
local terms energy: -298.691420
where:
bonds (distance) C4'-P energy: -56.784
bonds (distance) P-C4' energy: -54.900
flat angles C4'-P-C4' energy: -73.570
flat angles P-C4'-P energy: -45.812
tors. eta vs tors. theta energy: -67.626
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: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -833.876000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.876000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.876000 (E_RNA)
where:
Base-Base interactions energy: -544.612
where: short stacking energy: -255.964
Base-Backbone interact. energy: -0.452
local terms energy: -288.811855
where:
bonds (distance) C4'-P energy: -66.694
bonds (distance) P-C4' energy: -62.455
flat angles C4'-P-C4' energy: -63.977
flat angles P-C4'-P energy: -43.861
tors. eta vs tors. theta energy: -51.825
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: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -806.291407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.291407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.291407 (E_RNA)
where:
Base-Base interactions energy: -519.208
where: short stacking energy: -215.196
Base-Backbone interact. energy: -0.651
local terms energy: -286.433143
where:
bonds (distance) C4'-P energy: -63.865
bonds (distance) P-C4' energy: -70.295
flat angles C4'-P-C4' energy: -64.836
flat angles P-C4'-P energy: -37.429
tors. eta vs tors. theta energy: -50.009
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: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -574.133561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.133561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.133561 (E_RNA)
where:
Base-Base interactions energy: -362.445
where: short stacking energy: -178.513
Base-Backbone interact. energy: -1.882
local terms energy: -209.806116
where:
bonds (distance) C4'-P energy: -49.034
bonds (distance) P-C4' energy: -57.387
flat angles C4'-P-C4' energy: -51.157
flat angles P-C4'-P energy: -27.241
tors. eta vs tors. theta energy: -24.988
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: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1313.294976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.294976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.294976 (E_RNA)
where:
Base-Base interactions energy: -907.188
where: short stacking energy: -395.530
Base-Backbone interact. energy: -1.698
local terms energy: -404.408632
where:
bonds (distance) C4'-P energy: -73.024
bonds (distance) P-C4' energy: -75.551
flat angles C4'-P-C4' energy: -88.783
flat angles P-C4'-P energy: -53.740
tors. eta vs tors. theta energy: -113.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1287.001905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.001905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.001905 (E_RNA)
where:
Base-Base interactions energy: -901.984
where: short stacking energy: -369.976
Base-Backbone interact. energy: -4.309
local terms energy: -380.708744
where:
bonds (distance) C4'-P energy: -60.199
bonds (distance) P-C4' energy: -76.182
flat angles C4'-P-C4' energy: -80.009
flat angles P-C4'-P energy: -64.548
tors. eta vs tors. theta energy: -99.771
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: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1246.658853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.658853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.658853 (E_RNA)
where:
Base-Base interactions energy: -865.682
where: short stacking energy: -360.232
Base-Backbone interact. energy: -0.431
local terms energy: -380.546264
where:
bonds (distance) C4'-P energy: -70.682
bonds (distance) P-C4' energy: -87.995
flat angles C4'-P-C4' energy: -82.621
flat angles P-C4'-P energy: -41.276
tors. eta vs tors. theta energy: -97.972
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: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1247.023715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.023715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.023715 (E_RNA)
where:
Base-Base interactions energy: -876.220
where: short stacking energy: -372.229
Base-Backbone interact. energy: 2.414
local terms energy: -373.217238
where:
bonds (distance) C4'-P energy: -72.554
bonds (distance) P-C4' energy: -71.609
flat angles C4'-P-C4' energy: -77.848
flat angles P-C4'-P energy: -53.483
tors. eta vs tors. theta energy: -97.724
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: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1126.027499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.027499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.027499 (E_RNA)
where:
Base-Base interactions energy: -791.320
where: short stacking energy: -314.224
Base-Backbone interact. energy: -0.238
local terms energy: -334.469863
where:
bonds (distance) C4'-P energy: -60.353
bonds (distance) P-C4' energy: -63.472
flat angles C4'-P-C4' energy: -72.942
flat angles P-C4'-P energy: -53.708
tors. eta vs tors. theta energy: -83.995
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: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1110.825147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.825147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.825147 (E_RNA)
where:
Base-Base interactions energy: -768.866
where: short stacking energy: -314.027
Base-Backbone interact. energy: -0.035
local terms energy: -341.924055
where:
bonds (distance) C4'-P energy: -69.110
bonds (distance) P-C4' energy: -73.158
flat angles C4'-P-C4' energy: -69.374
flat angles P-C4'-P energy: -46.902
tors. eta vs tors. theta energy: -83.380
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: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -987.879966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.879966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.879966 (E_RNA)
where:
Base-Base interactions energy: -681.961
where: short stacking energy: -303.663
Base-Backbone interact. energy: -0.952
local terms energy: -304.967425
where:
bonds (distance) C4'-P energy: -68.779
bonds (distance) P-C4' energy: -69.492
flat angles C4'-P-C4' energy: -70.672
flat angles P-C4'-P energy: -36.206
tors. eta vs tors. theta energy: -59.820
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: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -800.971202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.971202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.971202 (E_RNA)
where:
Base-Base interactions energy: -525.332
where: short stacking energy: -233.933
Base-Backbone interact. energy: 0.607
local terms energy: -276.245716
where:
bonds (distance) C4'-P energy: -62.237
bonds (distance) P-C4' energy: -72.590
flat angles C4'-P-C4' energy: -49.781
flat angles P-C4'-P energy: -42.833
tors. eta vs tors. theta energy: -48.804
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: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -784.567798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.567798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.567798 (E_RNA)
where:
Base-Base interactions energy: -513.473
where: short stacking energy: -245.495
Base-Backbone interact. energy: 3.350
local terms energy: -274.445134
where:
bonds (distance) C4'-P energy: -64.500
bonds (distance) P-C4' energy: -44.983
flat angles C4'-P-C4' energy: -74.842
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -50.439
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: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -637.362131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.362131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.362131 (E_RNA)
where:
Base-Base interactions energy: -395.137
where: short stacking energy: -190.973
Base-Backbone interact. energy: -0.692
local terms energy: -241.532256
where:
bonds (distance) C4'-P energy: -46.439
bonds (distance) P-C4' energy: -59.887
flat angles C4'-P-C4' energy: -61.892
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -42.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1335.319845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.319845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.319845 (E_RNA)
where:
Base-Base interactions energy: -940.667
where: short stacking energy: -396.938
Base-Backbone interact. energy: -2.537
local terms energy: -392.115026
where:
bonds (distance) C4'-P energy: -73.921
bonds (distance) P-C4' energy: -68.412
flat angles C4'-P-C4' energy: -89.490
flat angles P-C4'-P energy: -52.162
tors. eta vs tors. theta energy: -108.130
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: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1310.856974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.856974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.856974 (E_RNA)
where:
Base-Base interactions energy: -933.976
where: short stacking energy: -401.079
Base-Backbone interact. energy: -0.909
local terms energy: -375.972365
where:
bonds (distance) C4'-P energy: -70.959
bonds (distance) P-C4' energy: -68.457
flat angles C4'-P-C4' energy: -78.923
flat angles P-C4'-P energy: -44.017
tors. eta vs tors. theta energy: -113.616
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: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1254.925579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.925579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.925579 (E_RNA)
where:
Base-Base interactions energy: -878.377
where: short stacking energy: -370.374
Base-Backbone interact. energy: 3.977
local terms energy: -380.525724
where:
bonds (distance) C4'-P energy: -67.786
bonds (distance) P-C4' energy: -76.601
flat angles C4'-P-C4' energy: -82.975
flat angles P-C4'-P energy: -57.428
tors. eta vs tors. theta energy: -95.736
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: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1233.165309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.165309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.165309 (E_RNA)
where:
Base-Base interactions energy: -879.339
where: short stacking energy: -363.850
Base-Backbone interact. energy: -2.093
local terms energy: -351.734054
where:
bonds (distance) C4'-P energy: -62.634
bonds (distance) P-C4' energy: -58.995
flat angles C4'-P-C4' energy: -82.786
flat angles P-C4'-P energy: -51.525
tors. eta vs tors. theta energy: -95.795
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: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1124.790124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.790124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.790124 (E_RNA)
where:
Base-Base interactions energy: -794.806
where: short stacking energy: -329.595
Base-Backbone interact. energy: -3.272
local terms energy: -326.711396
where:
bonds (distance) C4'-P energy: -63.678
bonds (distance) P-C4' energy: -62.265
flat angles C4'-P-C4' energy: -73.212
flat angles P-C4'-P energy: -49.712
tors. eta vs tors. theta energy: -77.845
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: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1101.252832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.252832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.252832 (E_RNA)
where:
Base-Base interactions energy: -771.410
where: short stacking energy: -313.870
Base-Backbone interact. energy: -0.052
local terms energy: -329.790607
where:
bonds (distance) C4'-P energy: -56.021
bonds (distance) P-C4' energy: -59.017
flat angles C4'-P-C4' energy: -79.124
flat angles P-C4'-P energy: -50.757
tors. eta vs tors. theta energy: -84.872
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: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -965.087458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.087458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.087458 (E_RNA)
where:
Base-Base interactions energy: -681.117
where: short stacking energy: -279.527
Base-Backbone interact. energy: -1.496
local terms energy: -282.475283
where:
bonds (distance) C4'-P energy: -55.122
bonds (distance) P-C4' energy: -62.826
flat angles C4'-P-C4' energy: -58.924
flat angles P-C4'-P energy: -45.028
tors. eta vs tors. theta energy: -60.576
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: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -835.045387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.045387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.045387 (E_RNA)
where:
Base-Base interactions energy: -549.139
where: short stacking energy: -245.726
Base-Backbone interact. energy: -1.419
local terms energy: -284.487465
where:
bonds (distance) C4'-P energy: -52.600
bonds (distance) P-C4' energy: -68.233
flat angles C4'-P-C4' energy: -61.617
flat angles P-C4'-P energy: -44.704
tors. eta vs tors. theta energy: -57.333
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: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -726.329988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.329988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.329988 (E_RNA)
where:
Base-Base interactions energy: -469.839
where: short stacking energy: -201.635
Base-Backbone interact. energy: -0.907
local terms energy: -255.584560
where:
bonds (distance) C4'-P energy: -58.741
bonds (distance) P-C4' energy: -61.520
flat angles C4'-P-C4' energy: -57.337
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -37.438
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: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -622.083336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.083336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.083336 (E_RNA)
where:
Base-Base interactions energy: -366.789
where: short stacking energy: -167.974
Base-Backbone interact. energy: -0.579
local terms energy: -254.715281
where:
bonds (distance) C4'-P energy: -51.973
bonds (distance) P-C4' energy: -67.965
flat angles C4'-P-C4' energy: -71.831
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: -28.941
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: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1325.098924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.098924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.098924 (E_RNA)
where:
Base-Base interactions energy: -935.323
where: short stacking energy: -392.944
Base-Backbone interact. energy: -4.838
local terms energy: -384.937898
where:
bonds (distance) C4'-P energy: -74.590
bonds (distance) P-C4' energy: -71.456
flat angles C4'-P-C4' energy: -82.782
flat angles P-C4'-P energy: -50.540
tors. eta vs tors. theta energy: -105.569
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1279.569147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.569147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.569147 (E_RNA)
where:
Base-Base interactions energy: -893.922
where: short stacking energy: -381.353
Base-Backbone interact. energy: -1.558
local terms energy: -384.089166
where:
bonds (distance) C4'-P energy: -71.295
bonds (distance) P-C4' energy: -70.990
flat angles C4'-P-C4' energy: -86.215
flat angles P-C4'-P energy: -57.734
tors. eta vs tors. theta energy: -97.856
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: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1251.287058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.287058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.287058 (E_RNA)
where:
Base-Base interactions energy: -866.460
where: short stacking energy: -381.447
Base-Backbone interact. energy: 0.178
local terms energy: -385.005336
where:
bonds (distance) C4'-P energy: -67.886
bonds (distance) P-C4' energy: -70.579
flat angles C4'-P-C4' energy: -88.667
flat angles P-C4'-P energy: -44.521
tors. eta vs tors. theta energy: -113.353
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: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1212.068934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.068934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.068934 (E_RNA)
where:
Base-Base interactions energy: -860.995
where: short stacking energy: -361.288
Base-Backbone interact. energy: -3.327
local terms energy: -347.747252
where:
bonds (distance) C4'-P energy: -70.670
bonds (distance) P-C4' energy: -63.544
flat angles C4'-P-C4' energy: -65.486
flat angles P-C4'-P energy: -53.137
tors. eta vs tors. theta energy: -94.910
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: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1075.672254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.672254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.672254 (E_RNA)
where:
Base-Base interactions energy: -750.143
where: short stacking energy: -317.771
Base-Backbone interact. energy: -0.606
local terms energy: -324.922879
where:
bonds (distance) C4'-P energy: -57.716
bonds (distance) P-C4' energy: -66.568
flat angles C4'-P-C4' energy: -71.690
flat angles P-C4'-P energy: -46.813
tors. eta vs tors. theta energy: -82.135
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: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1118.191862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.191862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.191862 (E_RNA)
where:
Base-Base interactions energy: -787.842
where: short stacking energy: -305.311
Base-Backbone interact. energy: -0.358
local terms energy: -329.992062
where:
bonds (distance) C4'-P energy: -60.400
bonds (distance) P-C4' energy: -69.176
flat angles C4'-P-C4' energy: -73.471
flat angles P-C4'-P energy: -39.946
tors. eta vs tors. theta energy: -86.999
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: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1034.692346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.692346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.692346 (E_RNA)
where:
Base-Base interactions energy: -728.278
where: short stacking energy: -312.963
Base-Backbone interact. energy: 0.764
local terms energy: -307.179158
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -66.228
flat angles C4'-P-C4' energy: -74.816
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -74.339
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: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -820.490103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.490103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.490103 (E_RNA)
where:
Base-Base interactions energy: -538.627
where: short stacking energy: -240.619
Base-Backbone interact. energy: 1.286
local terms energy: -283.149126
where:
bonds (distance) C4'-P energy: -54.693
bonds (distance) P-C4' energy: -72.625
flat angles C4'-P-C4' energy: -62.731
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -58.123
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: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -758.920947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.920947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.920947 (E_RNA)
where:
Base-Base interactions energy: -481.916
where: short stacking energy: -221.680
Base-Backbone interact. energy: -0.943
local terms energy: -276.062374
where:
bonds (distance) C4'-P energy: -62.883
bonds (distance) P-C4' energy: -61.714
flat angles C4'-P-C4' energy: -71.092
flat angles P-C4'-P energy: -40.328
tors. eta vs tors. theta energy: -40.045
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: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -611.475844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.475844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.475844 (E_RNA)
where:
Base-Base interactions energy: -383.009
where: short stacking energy: -177.624
Base-Backbone interact. energy: -0.239
local terms energy: -228.227762
where:
bonds (distance) C4'-P energy: -67.278
bonds (distance) P-C4' energy: -50.673
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: -23.452
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: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1327.183314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.183314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.183314 (E_RNA)
where:
Base-Base interactions energy: -943.622
where: short stacking energy: -400.033
Base-Backbone interact. energy: -4.006
local terms energy: -379.555357
where:
bonds (distance) C4'-P energy: -65.968
bonds (distance) P-C4' energy: -80.840
flat angles C4'-P-C4' energy: -75.081
flat angles P-C4'-P energy: -52.198
tors. eta vs tors. theta energy: -105.469
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: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1264.810861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.810861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.810861 (E_RNA)
where:
Base-Base interactions energy: -895.230
where: short stacking energy: -366.362
Base-Backbone interact. energy: -2.342
local terms energy: -367.238880
where:
bonds (distance) C4'-P energy: -69.898
bonds (distance) P-C4' energy: -75.087
flat angles C4'-P-C4' energy: -75.102
flat angles P-C4'-P energy: -50.682
tors. eta vs tors. theta energy: -96.470
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: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1231.810930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.810930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.810930 (E_RNA)
where:
Base-Base interactions energy: -845.554
where: short stacking energy: -367.908
Base-Backbone interact. energy: -1.555
local terms energy: -384.701655
where:
bonds (distance) C4'-P energy: -76.624
bonds (distance) P-C4' energy: -78.116
flat angles C4'-P-C4' energy: -72.913
flat angles P-C4'-P energy: -45.440
tors. eta vs tors. theta energy: -111.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1200.823789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.823789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.823789 (E_RNA)
where:
Base-Base interactions energy: -836.331
where: short stacking energy: -341.964
Base-Backbone interact. energy: -1.216
local terms energy: -363.277028
where:
bonds (distance) C4'-P energy: -66.672
bonds (distance) P-C4' energy: -70.380
flat angles C4'-P-C4' energy: -78.962
flat angles P-C4'-P energy: -59.612
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1166.999390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.999390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.999390 (E_RNA)
where:
Base-Base interactions energy: -831.886
where: short stacking energy: -354.329
Base-Backbone interact. energy: 0.483
local terms energy: -335.595962
where:
bonds (distance) C4'-P energy: -60.857
bonds (distance) P-C4' energy: -75.878
flat angles C4'-P-C4' energy: -68.509
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -88.847
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: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1080.628890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.628890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.628890 (E_RNA)
where:
Base-Base interactions energy: -750.802
where: short stacking energy: -297.995
Base-Backbone interact. energy: 1.452
local terms energy: -331.278415
where:
bonds (distance) C4'-P energy: -79.634
bonds (distance) P-C4' energy: -59.143
flat angles C4'-P-C4' energy: -74.655
flat angles P-C4'-P energy: -35.729
tors. eta vs tors. theta energy: -82.117
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: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1062.753146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.753146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.753146 (E_RNA)
where:
Base-Base interactions energy: -735.937
where: short stacking energy: -325.082
Base-Backbone interact. energy: -0.820
local terms energy: -325.995936
where:
bonds (distance) C4'-P energy: -54.648
bonds (distance) P-C4' energy: -68.940
flat angles C4'-P-C4' energy: -78.767
flat angles P-C4'-P energy: -48.232
tors. eta vs tors. theta energy: -75.409
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: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -804.364416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.364416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.364416 (E_RNA)
where:
Base-Base interactions energy: -541.557
where: short stacking energy: -256.556
Base-Backbone interact. energy: 2.254
local terms energy: -265.061275
where:
bonds (distance) C4'-P energy: -62.173
bonds (distance) P-C4' energy: -63.721
flat angles C4'-P-C4' energy: -54.226
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: -48.529
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: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -788.879463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.879463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.879463 (E_RNA)
where:
Base-Base interactions energy: -512.950
where: short stacking energy: -251.515
Base-Backbone interact. energy: -1.292
local terms energy: -274.638365
where:
bonds (distance) C4'-P energy: -57.137
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -59.469
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -64.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -573.147224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.147224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.147224 (E_RNA)
where:
Base-Base interactions energy: -340.190
where: short stacking energy: -164.010
Base-Backbone interact. energy: 0.152
local terms energy: -233.108886
where:
bonds (distance) C4'-P energy: -62.256
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -63.138
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -30.655
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: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1323.154672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.154672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.154672 (E_RNA)
where:
Base-Base interactions energy: -942.669
where: short stacking energy: -382.540
Base-Backbone interact. energy: -0.883
local terms energy: -379.602321
where:
bonds (distance) C4'-P energy: -73.981
bonds (distance) P-C4' energy: -72.614
flat angles C4'-P-C4' energy: -79.600
flat angles P-C4'-P energy: -53.004
tors. eta vs tors. theta energy: -100.404
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: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1270.270042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.270042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.270042 (E_RNA)
where:
Base-Base interactions energy: -891.058
where: short stacking energy: -369.100
Base-Backbone interact. energy: 0.404
local terms energy: -379.616069
where:
bonds (distance) C4'-P energy: -75.423
bonds (distance) P-C4' energy: -77.907
flat angles C4'-P-C4' energy: -75.220
flat angles P-C4'-P energy: -60.756
tors. eta vs tors. theta energy: -90.311
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: 73
Temperature: 1.000000
Total energy: -1240.456126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.456126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.456126 (E_RNA)
where:
Base-Base interactions energy: -857.757
where: short stacking energy: -389.949
Base-Backbone interact. energy: -0.221
local terms energy: -382.477761
where:
bonds (distance) C4'-P energy: -70.363
bonds (distance) P-C4' energy: -78.077
flat angles C4'-P-C4' energy: -83.297
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: -105.415
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: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1210.937101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.937101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.937101 (E_RNA)
where:
Base-Base interactions energy: -844.618
where: short stacking energy: -351.144
Base-Backbone interact. energy: 0.695
local terms energy: -367.014111
where:
bonds (distance) C4'-P energy: -62.473
bonds (distance) P-C4' energy: -74.753
flat angles C4'-P-C4' energy: -81.240
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -98.288
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: 73
Temperature: 1.100000
Total energy: -1167.036782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.036782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.036782 (E_RNA)
where:
Base-Base interactions energy: -804.893
where: short stacking energy: -348.704
Base-Backbone interact. energy: 0.698
local terms energy: -362.841578
where:
bonds (distance) C4'-P energy: -64.184
bonds (distance) P-C4' energy: -70.953
flat angles C4'-P-C4' energy: -73.484
flat angles P-C4'-P energy: -55.421
tors. eta vs tors. theta energy: -98.799
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: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1055.473216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.473216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.473216 (E_RNA)
where:
Base-Base interactions energy: -739.303
where: short stacking energy: -313.756
Base-Backbone interact. energy: 2.124
local terms energy: -318.294028
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -70.763
flat angles C4'-P-C4' energy: -68.275
flat angles P-C4'-P energy: -38.986
tors. eta vs tors. theta energy: -77.661
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: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1060.227842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.227842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.227842 (E_RNA)
where:
Base-Base interactions energy: -753.926
where: short stacking energy: -311.183
Base-Backbone interact. energy: -0.586
local terms energy: -305.715241
where:
bonds (distance) C4'-P energy: -61.081
bonds (distance) P-C4' energy: -62.903
flat angles C4'-P-C4' energy: -66.629
flat angles P-C4'-P energy: -37.014
tors. eta vs tors. theta energy: -78.088
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: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -805.975404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.975404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.975404 (E_RNA)
where:
Base-Base interactions energy: -521.966
where: short stacking energy: -233.612
Base-Backbone interact. energy: -2.187
local terms energy: -281.822090
where:
bonds (distance) C4'-P energy: -61.353
bonds (distance) P-C4' energy: -68.411
flat angles C4'-P-C4' energy: -63.458
flat angles P-C4'-P energy: -33.593
tors. eta vs tors. theta energy: -55.007
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: 9, replica: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -770.101238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.101238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.101238 (E_RNA)
where:
Base-Base interactions energy: -493.029
where: short stacking energy: -233.990
Base-Backbone interact. energy: -0.495
local terms energy: -276.577062
where:
bonds (distance) C4'-P energy: -64.334
bonds (distance) P-C4' energy: -66.926
flat angles C4'-P-C4' energy: -56.374
flat angles P-C4'-P energy: -35.478
tors. eta vs tors. theta energy: -53.465
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: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -572.241357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.241357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.241357 (E_RNA)
where:
Base-Base interactions energy: -348.916
where: short stacking energy: -170.955
Base-Backbone interact. energy: -1.398
local terms energy: -221.927916
where:
bonds (distance) C4'-P energy: -60.841
bonds (distance) P-C4' energy: -64.374
flat angles C4'-P-C4' energy: -44.498
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -22.175
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: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1320.947547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.947547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.947547 (E_RNA)
where:
Base-Base interactions energy: -921.156
where: short stacking energy: -386.412
Base-Backbone interact. energy: -3.254
local terms energy: -396.538402
where:
bonds (distance) C4'-P energy: -80.273
bonds (distance) P-C4' energy: -77.269
flat angles C4'-P-C4' energy: -90.273
flat angles P-C4'-P energy: -49.870
tors. eta vs tors. theta energy: -98.853
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: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1277.684696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.684696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.684696 (E_RNA)
where:
Base-Base interactions energy: -902.641
where: short stacking energy: -365.395
Base-Backbone interact. energy: -1.375
local terms energy: -373.668158
where:
bonds (distance) C4'-P energy: -68.398
bonds (distance) P-C4' energy: -71.771
flat angles C4'-P-C4' energy: -80.560
flat angles P-C4'-P energy: -55.580
tors. eta vs tors. theta energy: -97.359
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: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1220.828274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.828274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.828274 (E_RNA)
where:
Base-Base interactions energy: -858.690
where: short stacking energy: -350.111
Base-Backbone interact. energy: -2.060
local terms energy: -360.078035
where:
bonds (distance) C4'-P energy: -56.686
bonds (distance) P-C4' energy: -78.823
flat angles C4'-P-C4' energy: -82.375
flat angles P-C4'-P energy: -55.236
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: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1196.417126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.417126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.417126 (E_RNA)
where:
Base-Base interactions energy: -829.566
where: short stacking energy: -348.223
Base-Backbone interact. energy: -1.410
local terms energy: -365.441134
where:
bonds (distance) C4'-P energy: -60.908
bonds (distance) P-C4' energy: -77.782
flat angles C4'-P-C4' energy: -79.659
flat angles P-C4'-P energy: -46.921
tors. eta vs tors. theta energy: -100.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1177.299431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.299431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.299431 (E_RNA)
where:
Base-Base interactions energy: -826.073
where: short stacking energy: -364.685
Base-Backbone interact. energy: 0.795
local terms energy: -352.021748
where:
bonds (distance) C4'-P energy: -59.847
bonds (distance) P-C4' energy: -63.372
flat angles C4'-P-C4' energy: -88.561
flat angles P-C4'-P energy: -47.192
tors. eta vs tors. theta energy: -93.051
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: 74
Temperature: 1.150000
Total energy: -1057.733816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.733816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.733816 (E_RNA)
where:
Base-Base interactions energy: -747.687
where: short stacking energy: -304.268
Base-Backbone interact. energy: -4.015
local terms energy: -306.031855
where:
bonds (distance) C4'-P energy: -65.737
bonds (distance) P-C4' energy: -59.214
flat angles C4'-P-C4' energy: -73.666
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -70.592
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: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1082.169027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.169027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.169027 (E_RNA)
where:
Base-Base interactions energy: -752.142
where: short stacking energy: -312.975
Base-Backbone interact. energy: -0.940
local terms energy: -329.087014
where:
bonds (distance) C4'-P energy: -59.840
bonds (distance) P-C4' energy: -78.026
flat angles C4'-P-C4' energy: -65.557
flat angles P-C4'-P energy: -38.101
tors. eta vs tors. theta energy: -87.562
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: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -819.451473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.451473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.451473 (E_RNA)
where:
Base-Base interactions energy: -541.915
where: short stacking energy: -234.005
Base-Backbone interact. energy: -0.260
local terms energy: -277.275971
where:
bonds (distance) C4'-P energy: -53.862
bonds (distance) P-C4' energy: -64.298
flat angles C4'-P-C4' energy: -67.870
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -53.295
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: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -691.847762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.847762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.847762 (E_RNA)
where:
Base-Base interactions energy: -430.560
where: short stacking energy: -209.569
Base-Backbone interact. energy: 1.395
local terms energy: -262.682490
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -62.471
flat angles C4'-P-C4' energy: -65.949
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -31.388
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: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -654.355457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.355457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.355457 (E_RNA)
where:
Base-Base interactions energy: -427.732
where: short stacking energy: -204.828
Base-Backbone interact. energy: -0.112
local terms energy: -226.512029
where:
bonds (distance) C4'-P energy: -58.983
bonds (distance) P-C4' energy: -57.662
flat angles C4'-P-C4' energy: -54.721
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -27.833
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: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1339.492882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.492882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.492882 (E_RNA)
where:
Base-Base interactions energy: -942.033
where: short stacking energy: -374.340
Base-Backbone interact. energy: -0.705
local terms energy: -396.755486
where:
bonds (distance) C4'-P energy: -77.958
bonds (distance) P-C4' energy: -72.659
flat angles C4'-P-C4' energy: -79.345
flat angles P-C4'-P energy: -58.264
tors. eta vs tors. theta energy: -108.529
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: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1267.920223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.920223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.920223 (E_RNA)
where:
Base-Base interactions energy: -886.371
where: short stacking energy: -378.180
Base-Backbone interact. energy: -0.220
local terms energy: -381.329488
where:
bonds (distance) C4'-P energy: -68.426
bonds (distance) P-C4' energy: -61.999
flat angles C4'-P-C4' energy: -88.718
flat angles P-C4'-P energy: -61.814
tors. eta vs tors. theta energy: -100.373
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: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1252.946764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.946764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.946764 (E_RNA)
where:
Base-Base interactions energy: -876.687
where: short stacking energy: -374.928
Base-Backbone interact. energy: -2.383
local terms energy: -373.877161
where:
bonds (distance) C4'-P energy: -68.299
bonds (distance) P-C4' energy: -73.924
flat angles C4'-P-C4' energy: -71.229
flat angles P-C4'-P energy: -57.969
tors. eta vs tors. theta energy: -102.456
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: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1211.992571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.992571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.992571 (E_RNA)
where:
Base-Base interactions energy: -870.565
where: short stacking energy: -368.191
Base-Backbone interact. energy: -1.875
local terms energy: -339.552820
where:
bonds (distance) C4'-P energy: -65.716
bonds (distance) P-C4' energy: -75.172
flat angles C4'-P-C4' energy: -64.002
flat angles P-C4'-P energy: -38.701
tors. eta vs tors. theta energy: -95.962
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: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1177.234389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.234389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.234389 (E_RNA)
where:
Base-Base interactions energy: -828.657
where: short stacking energy: -353.161
Base-Backbone interact. energy: -0.985
local terms energy: -347.593081
where:
bonds (distance) C4'-P energy: -68.688
bonds (distance) P-C4' energy: -57.911
flat angles C4'-P-C4' energy: -77.584
flat angles P-C4'-P energy: -57.198
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: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1041.992597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.992597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.992597 (E_RNA)
where:
Base-Base interactions energy: -709.999
where: short stacking energy: -304.250
Base-Backbone interact. energy: -2.965
local terms energy: -329.028878
where:
bonds (distance) C4'-P energy: -65.741
bonds (distance) P-C4' energy: -69.367
flat angles C4'-P-C4' energy: -64.254
flat angles P-C4'-P energy: -47.774
tors. eta vs tors. theta energy: -81.894
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: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1086.288832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.288832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.288832 (E_RNA)
where:
Base-Base interactions energy: -772.973
where: short stacking energy: -344.883
Base-Backbone interact. energy: 0.098
local terms energy: -313.413995
where:
bonds (distance) C4'-P energy: -68.948
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -69.715
flat angles P-C4'-P energy: -35.124
tors. eta vs tors. theta energy: -81.993
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: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -832.513468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.513468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.513468 (E_RNA)
where:
Base-Base interactions energy: -538.864
where: short stacking energy: -242.250
Base-Backbone interact. energy: -1.541
local terms energy: -292.108853
where:
bonds (distance) C4'-P energy: -62.819
bonds (distance) P-C4' energy: -55.929
flat angles C4'-P-C4' energy: -61.020
flat angles P-C4'-P energy: -49.562
tors. eta vs tors. theta energy: -62.778
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: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -717.993375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.993375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.993375 (E_RNA)
where:
Base-Base interactions energy: -455.201
where: short stacking energy: -196.985
Base-Backbone interact. energy: 1.199
local terms energy: -263.992032
where:
bonds (distance) C4'-P energy: -61.586
bonds (distance) P-C4' energy: -67.363
flat angles C4'-P-C4' energy: -65.983
flat angles P-C4'-P energy: -33.542
tors. eta vs tors. theta energy: -35.519
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: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -635.715925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.715925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.715925 (E_RNA)
where:
Base-Base interactions energy: -387.111
where: short stacking energy: -180.436
Base-Backbone interact. energy: 0.442
local terms energy: -249.046805
where:
bonds (distance) C4'-P energy: -71.773
bonds (distance) P-C4' energy: -64.896
flat angles C4'-P-C4' energy: -56.711
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -36.674
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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1336.914515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.914515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.914515 (E_RNA)
where:
Base-Base interactions energy: -946.939
where: short stacking energy: -374.762
Base-Backbone interact. energy: -2.569
local terms energy: -387.406903
where:
bonds (distance) C4'-P energy: -69.315
bonds (distance) P-C4' energy: -72.901
flat angles C4'-P-C4' energy: -83.419
flat angles P-C4'-P energy: -53.114
tors. eta vs tors. theta energy: -108.659
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: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1279.395183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.395183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.395183 (E_RNA)
where:
Base-Base interactions energy: -876.035
where: short stacking energy: -378.972
Base-Backbone interact. energy: -1.081
local terms energy: -402.279460
where:
bonds (distance) C4'-P energy: -80.924
bonds (distance) P-C4' energy: -74.769
flat angles C4'-P-C4' energy: -78.897
flat angles P-C4'-P energy: -66.906
tors. eta vs tors. theta energy: -100.784
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: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1255.450523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.450523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.450523 (E_RNA)
where:
Base-Base interactions energy: -871.517
where: short stacking energy: -370.065
Base-Backbone interact. energy: -1.058
local terms energy: -382.875453
where:
bonds (distance) C4'-P energy: -70.939
bonds (distance) P-C4' energy: -75.318
flat angles C4'-P-C4' energy: -85.577
flat angles P-C4'-P energy: -48.964
tors. eta vs tors. theta energy: -102.078
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: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1214.443682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.443682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.443682 (E_RNA)
where:
Base-Base interactions energy: -833.869
where: short stacking energy: -349.277
Base-Backbone interact. energy: -3.168
local terms energy: -377.406316
where:
bonds (distance) C4'-P energy: -70.572
bonds (distance) P-C4' energy: -62.861
flat angles C4'-P-C4' energy: -89.445
flat angles P-C4'-P energy: -55.967
tors. eta vs tors. theta energy: -98.561
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: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1149.111286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.111286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.111286 (E_RNA)
where:
Base-Base interactions energy: -817.754
where: short stacking energy: -321.203
Base-Backbone interact. energy: -0.291
local terms energy: -331.066124
where:
bonds (distance) C4'-P energy: -60.334
bonds (distance) P-C4' energy: -75.534
flat angles C4'-P-C4' energy: -70.337
flat angles P-C4'-P energy: -41.006
tors. eta vs tors. theta energy: -83.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1024.518785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.518785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.518785 (E_RNA)
where:
Base-Base interactions energy: -705.120
where: short stacking energy: -303.595
Base-Backbone interact. energy: -2.030
local terms energy: -317.368644
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -63.394
flat angles C4'-P-C4' energy: -74.210
flat angles P-C4'-P energy: -59.277
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: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1081.257183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.257183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.257183 (E_RNA)
where:
Base-Base interactions energy: -776.836
where: short stacking energy: -311.067
Base-Backbone interact. energy: 0.009
local terms energy: -304.430936
where:
bonds (distance) C4'-P energy: -50.017
bonds (distance) P-C4' energy: -62.493
flat angles C4'-P-C4' energy: -74.634
flat angles P-C4'-P energy: -38.470
tors. eta vs tors. theta energy: -78.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -812.296675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.296675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.296675 (E_RNA)
where:
Base-Base interactions energy: -527.379
where: short stacking energy: -247.053
Base-Backbone interact. energy: -3.445
local terms energy: -281.472921
where:
bonds (distance) C4'-P energy: -57.280
bonds (distance) P-C4' energy: -63.734
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -50.933
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: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -643.193550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.193550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.193550 (E_RNA)
where:
Base-Base interactions energy: -400.072
where: short stacking energy: -178.956
Base-Backbone interact. energy: -1.075
local terms energy: -242.046618
where:
bonds (distance) C4'-P energy: -58.468
bonds (distance) P-C4' energy: -59.177
flat angles C4'-P-C4' energy: -55.085
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -30.004
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: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -673.157544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.157544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.157544 (E_RNA)
where:
Base-Base interactions energy: -446.691
where: short stacking energy: -206.595
Base-Backbone interact. energy: 1.340
local terms energy: -227.807252
where:
bonds (distance) C4'-P energy: -40.253
bonds (distance) P-C4' energy: -63.862
flat angles C4'-P-C4' energy: -45.138
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -39.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1319.761324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.761324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.761324 (E_RNA)
where:
Base-Base interactions energy: -920.750
where: short stacking energy: -370.199
Base-Backbone interact. energy: -2.639
local terms energy: -396.372852
where:
bonds (distance) C4'-P energy: -75.367
bonds (distance) P-C4' energy: -80.972
flat angles C4'-P-C4' energy: -80.139
flat angles P-C4'-P energy: -58.198
tors. eta vs tors. theta energy: -101.698
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: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1293.279424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.279424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.279424 (E_RNA)
where:
Base-Base interactions energy: -914.939
where: short stacking energy: -375.585
Base-Backbone interact. energy: -1.009
local terms energy: -377.332125
where:
bonds (distance) C4'-P energy: -73.734
bonds (distance) P-C4' energy: -70.180
flat angles C4'-P-C4' energy: -79.349
flat angles P-C4'-P energy: -45.417
tors. eta vs tors. theta energy: -108.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1246.949356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.949356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.949356 (E_RNA)
where:
Base-Base interactions energy: -875.975
where: short stacking energy: -379.032
Base-Backbone interact. energy: 0.187
local terms energy: -371.160623
where:
bonds (distance) C4'-P energy: -72.628
bonds (distance) P-C4' energy: -69.787
flat angles C4'-P-C4' energy: -76.146
flat angles P-C4'-P energy: -56.326
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: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1212.643685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.643685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.643685 (E_RNA)
where:
Base-Base interactions energy: -839.023
where: short stacking energy: -367.130
Base-Backbone interact. energy: -1.417
local terms energy: -372.203533
where:
bonds (distance) C4'-P energy: -72.469
bonds (distance) P-C4' energy: -74.109
flat angles C4'-P-C4' energy: -74.001
flat angles P-C4'-P energy: -54.841
tors. eta vs tors. theta energy: -96.783
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: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1151.566722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.566722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.566722 (E_RNA)
where:
Base-Base interactions energy: -820.389
where: short stacking energy: -336.389
Base-Backbone interact. energy: -0.778
local terms energy: -330.399964
where:
bonds (distance) C4'-P energy: -54.251
bonds (distance) P-C4' energy: -63.591
flat angles C4'-P-C4' energy: -75.126
flat angles P-C4'-P energy: -47.781
tors. eta vs tors. theta energy: -89.651
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: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1094.370821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.370821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.370821 (E_RNA)
where:
Base-Base interactions energy: -767.596
where: short stacking energy: -324.280
Base-Backbone interact. energy: -0.967
local terms energy: -325.806997
where:
bonds (distance) C4'-P energy: -67.064
bonds (distance) P-C4' energy: -62.883
flat angles C4'-P-C4' energy: -78.628
flat angles P-C4'-P energy: -42.913
tors. eta vs tors. theta energy: -74.320
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: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1060.325998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.325998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.325998 (E_RNA)
where:
Base-Base interactions energy: -716.238
where: short stacking energy: -299.177
Base-Backbone interact. energy: -2.032
local terms energy: -342.056085
where:
bonds (distance) C4'-P energy: -69.519
bonds (distance) P-C4' energy: -73.675
flat angles C4'-P-C4' energy: -79.621
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -74.582
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: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -821.634098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.634098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.634098 (E_RNA)
where:
Base-Base interactions energy: -530.578
where: short stacking energy: -240.229
Base-Backbone interact. energy: -1.458
local terms energy: -289.597893
where:
bonds (distance) C4'-P energy: -57.072
bonds (distance) P-C4' energy: -68.387
flat angles C4'-P-C4' energy: -66.336
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -58.023
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: 77
Temperature: 1.300000
Total energy: -657.772164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.772164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.772164 (E_RNA)
where:
Base-Base interactions energy: -413.543
where: short stacking energy: -197.986
Base-Backbone interact. energy: -0.843
local terms energy: -243.386682
where:
bonds (distance) C4'-P energy: -65.444
bonds (distance) P-C4' energy: -61.581
flat angles C4'-P-C4' energy: -48.911
flat angles P-C4'-P energy: -28.614
tors. eta vs tors. theta energy: -38.837
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: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -678.742347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.742347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.742347 (E_RNA)
where:
Base-Base interactions energy: -420.748
where: short stacking energy: -208.848
Base-Backbone interact. energy: 2.722
local terms energy: -260.716532
where:
bonds (distance) C4'-P energy: -70.162
bonds (distance) P-C4' energy: -66.535
flat angles C4'-P-C4' energy: -50.866
flat angles P-C4'-P energy: -31.082
tors. eta vs tors. theta energy: -42.071
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: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1301.870409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.870409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.870409 (E_RNA)
where:
Base-Base interactions energy: -904.632
where: short stacking energy: -388.030
Base-Backbone interact. energy: 0.564
local terms energy: -397.802426
where:
bonds (distance) C4'-P energy: -70.891
bonds (distance) P-C4' energy: -75.906
flat angles C4'-P-C4' energy: -85.374
flat angles P-C4'-P energy: -58.382
tors. eta vs tors. theta energy: -107.249
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: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1320.620884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.620884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.620884 (E_RNA)
where:
Base-Base interactions energy: -945.566
where: short stacking energy: -401.741
Base-Backbone interact. energy: 3.713
local terms energy: -378.768417
where:
bonds (distance) C4'-P energy: -64.618
bonds (distance) P-C4' energy: -71.446
flat angles C4'-P-C4' energy: -78.755
flat angles P-C4'-P energy: -54.095
tors. eta vs tors. theta energy: -109.854
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: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1243.691655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.691655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.691655 (E_RNA)
where:
Base-Base interactions energy: -869.825
where: short stacking energy: -368.594
Base-Backbone interact. energy: -0.971
local terms energy: -372.895114
where:
bonds (distance) C4'-P energy: -74.632
bonds (distance) P-C4' energy: -64.963
flat angles C4'-P-C4' energy: -81.745
flat angles P-C4'-P energy: -53.652
tors. eta vs tors. theta energy: -97.903
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: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1228.932575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.932575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.932575 (E_RNA)
where:
Base-Base interactions energy: -870.935
where: short stacking energy: -347.683
Base-Backbone interact. energy: -2.215
local terms energy: -355.782740
where:
bonds (distance) C4'-P energy: -57.718
bonds (distance) P-C4' energy: -78.494
flat angles C4'-P-C4' energy: -76.306
flat angles P-C4'-P energy: -53.513
tors. eta vs tors. theta energy: -89.751
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1155.722667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.722667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.722667 (E_RNA)
where:
Base-Base interactions energy: -812.078
where: short stacking energy: -361.432
Base-Backbone interact. energy: -1.234
local terms energy: -342.410000
where:
bonds (distance) C4'-P energy: -73.797
bonds (distance) P-C4' energy: -66.757
flat angles C4'-P-C4' energy: -65.887
flat angles P-C4'-P energy: -46.414
tors. eta vs tors. theta energy: -89.555
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: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1142.516975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.516975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.516975 (E_RNA)
where:
Base-Base interactions energy: -798.922
where: short stacking energy: -349.692
Base-Backbone interact. energy: -1.413
local terms energy: -342.182303
where:
bonds (distance) C4'-P energy: -65.302
bonds (distance) P-C4' energy: -64.366
flat angles C4'-P-C4' energy: -68.071
flat angles P-C4'-P energy: -44.357
tors. eta vs tors. theta energy: -100.087
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: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -971.463936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.463936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.463936 (E_RNA)
where:
Base-Base interactions energy: -678.665
where: short stacking energy: -297.840
Base-Backbone interact. energy: 1.070
local terms energy: -293.869302
where:
bonds (distance) C4'-P energy: -62.389
bonds (distance) P-C4' energy: -55.028
flat angles C4'-P-C4' energy: -67.105
flat angles P-C4'-P energy: -45.808
tors. eta vs tors. theta energy: -63.539
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: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -868.291680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.291680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.291680 (E_RNA)
where:
Base-Base interactions energy: -563.502
where: short stacking energy: -257.607
Base-Backbone interact. energy: 1.546
local terms energy: -306.335312
where:
bonds (distance) C4'-P energy: -69.899
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -74.913
flat angles P-C4'-P energy: -41.792
tors. eta vs tors. theta energy: -54.449
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: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -762.512673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.512673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.512673 (E_RNA)
where:
Base-Base interactions energy: -519.813
where: short stacking energy: -233.593
Base-Backbone interact. energy: 1.381
local terms energy: -244.081628
where:
bonds (distance) C4'-P energy: -58.446
bonds (distance) P-C4' energy: -61.373
flat angles C4'-P-C4' energy: -64.569
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -37.003
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: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -632.932978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.932978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.932978 (E_RNA)
where:
Base-Base interactions energy: -400.237
where: short stacking energy: -192.711
Base-Backbone interact. energy: -2.137
local terms energy: -230.558446
where:
bonds (distance) C4'-P energy: -53.096
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -53.867
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -38.999
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: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1341.179685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.179685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.179685 (E_RNA)
where:
Base-Base interactions energy: -935.586
where: short stacking energy: -410.090
Base-Backbone interact. energy: -0.341
local terms energy: -405.252197
where:
bonds (distance) C4'-P energy: -73.151
bonds (distance) P-C4' energy: -71.663
flat angles C4'-P-C4' energy: -84.127
flat angles P-C4'-P energy: -58.604
tors. eta vs tors. theta energy: -117.707
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: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1283.062157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.062157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.062157 (E_RNA)
where:
Base-Base interactions energy: -907.041
where: short stacking energy: -382.093
Base-Backbone interact. energy: -2.670
local terms energy: -373.351109
where:
bonds (distance) C4'-P energy: -67.658
bonds (distance) P-C4' energy: -70.505
flat angles C4'-P-C4' energy: -85.785
flat angles P-C4'-P energy: -46.618
tors. eta vs tors. theta energy: -102.785
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: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1216.343322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.343322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.343322 (E_RNA)
where:
Base-Base interactions energy: -849.326
where: short stacking energy: -355.947
Base-Backbone interact. energy: -2.046
local terms energy: -364.971177
where:
bonds (distance) C4'-P energy: -64.451
bonds (distance) P-C4' energy: -77.414
flat angles C4'-P-C4' energy: -72.938
flat angles P-C4'-P energy: -54.875
tors. eta vs tors. theta energy: -95.293
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: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1235.329668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.329668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.329668 (E_RNA)
where:
Base-Base interactions energy: -852.124
where: short stacking energy: -361.840
Base-Backbone interact. energy: -2.014
local terms energy: -381.191771
where:
bonds (distance) C4'-P energy: -74.103
bonds (distance) P-C4' energy: -68.748
flat angles C4'-P-C4' energy: -85.334
flat angles P-C4'-P energy: -56.287
tors. eta vs tors. theta energy: -96.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1138.106935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.106935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.106935 (E_RNA)
where:
Base-Base interactions energy: -795.430
where: short stacking energy: -318.667
Base-Backbone interact. energy: -1.348
local terms energy: -341.329530
where:
bonds (distance) C4'-P energy: -56.231
bonds (distance) P-C4' energy: -70.656
flat angles C4'-P-C4' energy: -76.807
flat angles P-C4'-P energy: -49.360
tors. eta vs tors. theta energy: -88.277
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: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1111.829178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.829178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.829178 (E_RNA)
where:
Base-Base interactions energy: -776.291
where: short stacking energy: -329.880
Base-Backbone interact. energy: -0.208
local terms energy: -335.330391
where:
bonds (distance) C4'-P energy: -62.846
bonds (distance) P-C4' energy: -69.151
flat angles C4'-P-C4' energy: -72.075
flat angles P-C4'-P energy: -50.651
tors. eta vs tors. theta energy: -80.607
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: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -946.184085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.184085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.184085 (E_RNA)
where:
Base-Base interactions energy: -649.920
where: short stacking energy: -266.161
Base-Backbone interact. energy: 1.669
local terms energy: -297.933912
where:
bonds (distance) C4'-P energy: -57.439
bonds (distance) P-C4' energy: -71.682
flat angles C4'-P-C4' energy: -60.597
flat angles P-C4'-P energy: -44.686
tors. eta vs tors. theta energy: -63.529
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: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -838.453386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.453386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.453386 (E_RNA)
where:
Base-Base interactions energy: -540.497
where: short stacking energy: -259.072
Base-Backbone interact. energy: -1.878
local terms energy: -296.079118
where:
bonds (distance) C4'-P energy: -61.082
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -62.934
flat angles P-C4'-P energy: -43.858
tors. eta vs tors. theta energy: -62.952
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: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -796.270985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.270985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.270985 (E_RNA)
where:
Base-Base interactions energy: -522.622
where: short stacking energy: -232.640
Base-Backbone interact. energy: -1.076
local terms energy: -272.572881
where:
bonds (distance) C4'-P energy: -47.389
bonds (distance) P-C4' energy: -66.542
flat angles C4'-P-C4' energy: -59.503
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -50.078
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: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -661.390459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.390459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.390459 (E_RNA)
where:
Base-Base interactions energy: -412.014
where: short stacking energy: -191.148
Base-Backbone interact. energy: -0.889
local terms energy: -248.487468
where:
bonds (distance) C4'-P energy: -67.711
bonds (distance) P-C4' energy: -68.525
flat angles C4'-P-C4' energy: -55.152
flat angles P-C4'-P energy: -25.755
tors. eta vs tors. theta energy: -31.344
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: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1318.860638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.860638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.860638 (E_RNA)
where:
Base-Base interactions energy: -928.646
where: short stacking energy: -398.555
Base-Backbone interact. energy: -1.188
local terms energy: -389.026340
where:
bonds (distance) C4'-P energy: -73.281
bonds (distance) P-C4' energy: -67.171
flat angles C4'-P-C4' energy: -72.698
flat angles P-C4'-P energy: -58.774
tors. eta vs tors. theta energy: -117.102
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: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1261.054035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.054035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.054035 (E_RNA)
where:
Base-Base interactions energy: -887.503
where: short stacking energy: -354.099
Base-Backbone interact. energy: -0.560
local terms energy: -372.991634
where:
bonds (distance) C4'-P energy: -76.846
bonds (distance) P-C4' energy: -79.163
flat angles C4'-P-C4' energy: -81.751
flat angles P-C4'-P energy: -39.847
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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1242.982641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.982641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.982641 (E_RNA)
where:
Base-Base interactions energy: -861.078
where: short stacking energy: -356.816
Base-Backbone interact. energy: -0.835
local terms energy: -381.070204
where:
bonds (distance) C4'-P energy: -72.742
bonds (distance) P-C4' energy: -75.913
flat angles C4'-P-C4' energy: -85.952
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -95.464
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: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1202.866901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.866901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.866901 (E_RNA)
where:
Base-Base interactions energy: -867.007
where: short stacking energy: -375.399
Base-Backbone interact. energy: 2.176
local terms energy: -338.035982
where:
bonds (distance) C4'-P energy: -58.378
bonds (distance) P-C4' energy: -63.772
flat angles C4'-P-C4' energy: -76.320
flat angles P-C4'-P energy: -34.553
tors. eta vs tors. theta energy: -105.013
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: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1137.968010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.968010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.968010 (E_RNA)
where:
Base-Base interactions energy: -774.699
where: short stacking energy: -337.108
Base-Backbone interact. energy: -0.558
local terms energy: -362.710781
where:
bonds (distance) C4'-P energy: -64.501
bonds (distance) P-C4' energy: -72.738
flat angles C4'-P-C4' energy: -84.086
flat angles P-C4'-P energy: -49.135
tors. eta vs tors. theta energy: -92.251
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: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1137.157523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.157523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.157523 (E_RNA)
where:
Base-Base interactions energy: -811.617
where: short stacking energy: -333.234
Base-Backbone interact. energy: -1.191
local terms energy: -324.348891
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -71.858
flat angles C4'-P-C4' energy: -71.248
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: -91.491
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: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -952.841164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.841164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.841164 (E_RNA)
where:
Base-Base interactions energy: -649.982
where: short stacking energy: -263.616
Base-Backbone interact. energy: -2.830
local terms energy: -300.029163
where:
bonds (distance) C4'-P energy: -69.439
bonds (distance) P-C4' energy: -52.575
flat angles C4'-P-C4' energy: -72.355
flat angles P-C4'-P energy: -44.009
tors. eta vs tors. theta energy: -61.651
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: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -929.101395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.101395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.101395 (E_RNA)
where:
Base-Base interactions energy: -619.774
where: short stacking energy: -291.335
Base-Backbone interact. energy: 0.066
local terms energy: -309.392586
where:
bonds (distance) C4'-P energy: -72.178
bonds (distance) P-C4' energy: -58.101
flat angles C4'-P-C4' energy: -70.201
flat angles P-C4'-P energy: -42.562
tors. eta vs tors. theta energy: -66.350
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: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -774.047965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.047965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.047965 (E_RNA)
where:
Base-Base interactions energy: -512.514
where: short stacking energy: -234.501
Base-Backbone interact. energy: 3.939
local terms energy: -265.472095
where:
bonds (distance) C4'-P energy: -55.926
bonds (distance) P-C4' energy: -58.412
flat angles C4'-P-C4' energy: -69.538
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -52.485
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: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -541.620097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.620097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.620097 (E_RNA)
where:
Base-Base interactions energy: -333.629
where: short stacking energy: -154.869
Base-Backbone interact. energy: 4.417
local terms energy: -212.408110
where:
bonds (distance) C4'-P energy: -49.307
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -30.538
tors. eta vs tors. theta energy: -24.267
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: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1342.236391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.236391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.236391 (E_RNA)
where:
Base-Base interactions energy: -938.264
where: short stacking energy: -416.854
Base-Backbone interact. energy: 0.536
local terms energy: -404.508652
where:
bonds (distance) C4'-P energy: -80.813
bonds (distance) P-C4' energy: -74.043
flat angles C4'-P-C4' energy: -76.850
flat angles P-C4'-P energy: -57.983
tors. eta vs tors. theta energy: -114.819
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: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1274.599479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.599479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.599479 (E_RNA)
where:
Base-Base interactions energy: -910.499
where: short stacking energy: -382.768
Base-Backbone interact. energy: -0.447
local terms energy: -363.653875
where:
bonds (distance) C4'-P energy: -59.425
bonds (distance) P-C4' energy: -72.790
flat angles C4'-P-C4' energy: -81.758
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -101.836
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: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1245.121808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.121808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.121808 (E_RNA)
where:
Base-Base interactions energy: -876.450
where: short stacking energy: -364.311
Base-Backbone interact. energy: -2.081
local terms energy: -366.591094
where:
bonds (distance) C4'-P energy: -68.118
bonds (distance) P-C4' energy: -71.975
flat angles C4'-P-C4' energy: -79.671
flat angles P-C4'-P energy: -51.319
tors. eta vs tors. theta energy: -95.507
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: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1200.243081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.243081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.243081 (E_RNA)
where:
Base-Base interactions energy: -827.243
where: short stacking energy: -342.010
Base-Backbone interact. energy: -1.695
local terms energy: -371.305724
where:
bonds (distance) C4'-P energy: -73.405
bonds (distance) P-C4' energy: -73.999
flat angles C4'-P-C4' energy: -79.392
flat angles P-C4'-P energy: -56.588
tors. eta vs tors. theta energy: -87.922
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1174.240439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.240439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.240439 (E_RNA)
where:
Base-Base interactions energy: -832.705
where: short stacking energy: -341.268
Base-Backbone interact. energy: -2.037
local terms energy: -339.498612
where:
bonds (distance) C4'-P energy: -61.871
bonds (distance) P-C4' energy: -69.420
flat angles C4'-P-C4' energy: -83.018
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -87.300
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: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1135.255397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.255397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.255397 (E_RNA)
where:
Base-Base interactions energy: -801.339
where: short stacking energy: -350.112
Base-Backbone interact. energy: -0.721
local terms energy: -333.195962
where:
bonds (distance) C4'-P energy: -64.288
bonds (distance) P-C4' energy: -56.470
flat angles C4'-P-C4' energy: -68.214
flat angles P-C4'-P energy: -54.916
tors. eta vs tors. theta energy: -89.308
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: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -919.175456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.175456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.175456 (E_RNA)
where:
Base-Base interactions energy: -613.945
where: short stacking energy: -268.783
Base-Backbone interact. energy: -1.135
local terms energy: -304.095263
where:
bonds (distance) C4'-P energy: -62.821
bonds (distance) P-C4' energy: -67.942
flat angles C4'-P-C4' energy: -67.954
flat angles P-C4'-P energy: -54.984
tors. eta vs tors. theta energy: -50.394
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: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -914.091253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.091253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.091253 (E_RNA)
where:
Base-Base interactions energy: -618.157
where: short stacking energy: -252.305
Base-Backbone interact. energy: 4.279
local terms energy: -300.213223
where:
bonds (distance) C4'-P energy: -72.191
bonds (distance) P-C4' energy: -69.702
flat angles C4'-P-C4' energy: -65.732
flat angles P-C4'-P energy: -45.709
tors. eta vs tors. theta energy: -46.879
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: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -741.591130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.591130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.591130 (E_RNA)
where:
Base-Base interactions energy: -470.737
where: short stacking energy: -195.657
Base-Backbone interact. energy: 1.020
local terms energy: -271.874173
where:
bonds (distance) C4'-P energy: -57.922
bonds (distance) P-C4' energy: -73.525
flat angles C4'-P-C4' energy: -61.011
flat angles P-C4'-P energy: -44.723
tors. eta vs tors. theta energy: -34.694
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: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -630.210161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.210161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.210161 (E_RNA)
where:
Base-Base interactions energy: -384.605
where: short stacking energy: -174.925
Base-Backbone interact. energy: -0.487
local terms energy: -245.118489
where:
bonds (distance) C4'-P energy: -62.118
bonds (distance) P-C4' energy: -65.112
flat angles C4'-P-C4' energy: -58.837
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -29.952
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: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1311.530902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.530902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.530902 (E_RNA)
where:
Base-Base interactions energy: -919.935
where: short stacking energy: -380.390
Base-Backbone interact. energy: -1.119
local terms energy: -390.476638
where:
bonds (distance) C4'-P energy: -66.244
bonds (distance) P-C4' energy: -77.197
flat angles C4'-P-C4' energy: -83.707
flat angles P-C4'-P energy: -58.697
tors. eta vs tors. theta energy: -104.632
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: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1304.017680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.017680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.017680 (E_RNA)
where:
Base-Base interactions energy: -905.869
where: short stacking energy: -412.731
Base-Backbone interact. energy: -1.515
local terms energy: -396.632843
where:
bonds (distance) C4'-P energy: -64.494
bonds (distance) P-C4' energy: -88.142
flat angles C4'-P-C4' energy: -78.224
flat angles P-C4'-P energy: -49.601
tors. eta vs tors. theta energy: -116.172
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: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1232.301554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.301554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.301554 (E_RNA)
where:
Base-Base interactions energy: -863.993
where: short stacking energy: -345.284
Base-Backbone interact. energy: 1.788
local terms energy: -370.097104
where:
bonds (distance) C4'-P energy: -68.029
bonds (distance) P-C4' energy: -75.864
flat angles C4'-P-C4' energy: -79.067
flat angles P-C4'-P energy: -58.504
tors. eta vs tors. theta energy: -88.634
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: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1181.965284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.965284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.965284 (E_RNA)
where:
Base-Base interactions energy: -829.883
where: short stacking energy: -342.060
Base-Backbone interact. energy: -1.493
local terms energy: -350.589005
where:
bonds (distance) C4'-P energy: -64.975
bonds (distance) P-C4' energy: -70.764
flat angles C4'-P-C4' energy: -71.869
flat angles P-C4'-P energy: -53.390
tors. eta vs tors. theta energy: -89.591
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: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1155.616677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.616677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.616677 (E_RNA)
where:
Base-Base interactions energy: -824.671
where: short stacking energy: -366.766
Base-Backbone interact. energy: -0.145
local terms energy: -330.801219
where:
bonds (distance) C4'-P energy: -74.176
bonds (distance) P-C4' energy: -58.181
flat angles C4'-P-C4' energy: -74.311
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: -88.461
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: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1093.043940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.043940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.043940 (E_RNA)
where:
Base-Base interactions energy: -780.535
where: short stacking energy: -303.024
Base-Backbone interact. energy: -4.080
local terms energy: -308.428265
where:
bonds (distance) C4'-P energy: -60.207
bonds (distance) P-C4' energy: -56.688
flat angles C4'-P-C4' energy: -69.944
flat angles P-C4'-P energy: -49.789
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: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -946.521485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.521485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.521485 (E_RNA)
where:
Base-Base interactions energy: -623.941
where: short stacking energy: -264.013
Base-Backbone interact. energy: -0.403
local terms energy: -322.177104
where:
bonds (distance) C4'-P energy: -72.088
bonds (distance) P-C4' energy: -66.256
flat angles C4'-P-C4' energy: -66.844
flat angles P-C4'-P energy: -48.001
tors. eta vs tors. theta energy: -68.989
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: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -874.773956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.773956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.773956 (E_RNA)
where:
Base-Base interactions energy: -608.656
where: short stacking energy: -260.513
Base-Backbone interact. energy: -0.088
local terms energy: -266.030065
where:
bonds (distance) C4'-P energy: -42.875
bonds (distance) P-C4' energy: -61.183
flat angles C4'-P-C4' energy: -62.157
flat angles P-C4'-P energy: -43.944
tors. eta vs tors. theta energy: -55.872
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: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -779.075963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.075963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.075963 (E_RNA)
where:
Base-Base interactions energy: -488.894
where: short stacking energy: -216.492
Base-Backbone interact. energy: 2.033
local terms energy: -292.214406
where:
bonds (distance) C4'-P energy: -62.755
bonds (distance) P-C4' energy: -68.205
flat angles C4'-P-C4' energy: -65.474
flat angles P-C4'-P energy: -50.586
tors. eta vs tors. theta energy: -45.194
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: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -691.697497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.697497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.697497 (E_RNA)
where:
Base-Base interactions energy: -443.152
where: short stacking energy: -198.942
Base-Backbone interact. energy: -0.962
local terms energy: -247.583957
where:
bonds (distance) C4'-P energy: -62.808
bonds (distance) P-C4' energy: -57.310
flat angles C4'-P-C4' energy: -67.193
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -32.898
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: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1312.727576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.727576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.727576 (E_RNA)
where:
Base-Base interactions energy: -907.581
where: short stacking energy: -380.250
Base-Backbone interact. energy: -0.599
local terms energy: -404.547793
where:
bonds (distance) C4'-P energy: -76.671
bonds (distance) P-C4' energy: -79.806
flat angles C4'-P-C4' energy: -86.582
flat angles P-C4'-P energy: -56.438
tors. eta vs tors. theta energy: -105.050
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: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1286.709612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.709612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.709612 (E_RNA)
where:
Base-Base interactions energy: -892.641
where: short stacking energy: -388.440
Base-Backbone interact. energy: -1.083
local terms energy: -392.985304
where:
bonds (distance) C4'-P energy: -67.266
bonds (distance) P-C4' energy: -76.246
flat angles C4'-P-C4' energy: -82.833
flat angles P-C4'-P energy: -50.483
tors. eta vs tors. theta energy: -116.158
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: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1233.070449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.070449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.070449 (E_RNA)
where:
Base-Base interactions energy: -868.040
where: short stacking energy: -371.952
Base-Backbone interact. energy: -2.124
local terms energy: -362.906983
where:
bonds (distance) C4'-P energy: -68.198
bonds (distance) P-C4' energy: -74.153
flat angles C4'-P-C4' energy: -81.431
flat angles P-C4'-P energy: -52.114
tors. eta vs tors. theta energy: -87.011
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: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1185.198580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.198580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.198580 (E_RNA)
where:
Base-Base interactions energy: -823.121
where: short stacking energy: -353.287
Base-Backbone interact. energy: -3.072
local terms energy: -359.005950
where:
bonds (distance) C4'-P energy: -68.342
bonds (distance) P-C4' energy: -70.710
flat angles C4'-P-C4' energy: -81.475
flat angles P-C4'-P energy: -45.001
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: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1132.844880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.844880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.844880 (E_RNA)
where:
Base-Base interactions energy: -809.472
where: short stacking energy: -340.524
Base-Backbone interact. energy: -0.234
local terms energy: -323.138970
where:
bonds (distance) C4'-P energy: -64.490
bonds (distance) P-C4' energy: -60.862
flat angles C4'-P-C4' energy: -67.298
flat angles P-C4'-P energy: -50.153
tors. eta vs tors. theta energy: -80.335
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: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1117.644660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.644660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.644660 (E_RNA)
where:
Base-Base interactions energy: -794.725
where: short stacking energy: -336.645
Base-Backbone interact. energy: -2.076
local terms energy: -320.843477
where:
bonds (distance) C4'-P energy: -63.183
bonds (distance) P-C4' energy: -57.912
flat angles C4'-P-C4' energy: -60.251
flat angles P-C4'-P energy: -48.846
tors. eta vs tors. theta energy: -90.653
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: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -938.196802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.196802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.196802 (E_RNA)
where:
Base-Base interactions energy: -627.903
where: short stacking energy: -267.556
Base-Backbone interact. energy: -1.038
local terms energy: -309.255887
where:
bonds (distance) C4'-P energy: -68.989
bonds (distance) P-C4' energy: -73.821
flat angles C4'-P-C4' energy: -68.361
flat angles P-C4'-P energy: -40.948
tors. eta vs tors. theta energy: -57.137
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: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -851.904573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.904573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.904573 (E_RNA)
where:
Base-Base interactions energy: -568.711
where: short stacking energy: -245.667
Base-Backbone interact. energy: -0.368
local terms energy: -282.825604
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -60.669
flat angles C4'-P-C4' energy: -57.383
flat angles P-C4'-P energy: -42.537
tors. eta vs tors. theta energy: -56.790
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: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -782.718725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.718725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.718725 (E_RNA)
where:
Base-Base interactions energy: -494.843
where: short stacking energy: -224.905
Base-Backbone interact. energy: -0.970
local terms energy: -286.905503
where:
bonds (distance) C4'-P energy: -66.954
bonds (distance) P-C4' energy: -61.249
flat angles C4'-P-C4' energy: -67.029
flat angles P-C4'-P energy: -38.564
tors. eta vs tors. theta energy: -53.110
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: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -645.843884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.843884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.843884 (E_RNA)
where:
Base-Base interactions energy: -416.594
where: short stacking energy: -190.326
Base-Backbone interact. energy: -0.142
local terms energy: -229.108015
where:
bonds (distance) C4'-P energy: -63.161
bonds (distance) P-C4' energy: -57.921
flat angles C4'-P-C4' energy: -54.729
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: -28.423
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: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1304.668244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.668244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.668244 (E_RNA)
where:
Base-Base interactions energy: -897.005
where: short stacking energy: -396.370
Base-Backbone interact. energy: -2.327
local terms energy: -405.336067
where:
bonds (distance) C4'-P energy: -79.341
bonds (distance) P-C4' energy: -76.731
flat angles C4'-P-C4' energy: -80.076
flat angles P-C4'-P energy: -54.894
tors. eta vs tors. theta energy: -114.293
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: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1276.795229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.795229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.795229 (E_RNA)
where:
Base-Base interactions energy: -895.508
where: short stacking energy: -373.558
Base-Backbone interact. energy: -0.796
local terms energy: -380.490660
where:
bonds (distance) C4'-P energy: -68.316
bonds (distance) P-C4' energy: -72.880
flat angles C4'-P-C4' energy: -81.634
flat angles P-C4'-P energy: -60.182
tors. eta vs tors. theta energy: -97.478
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: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1226.086578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.086578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.086578 (E_RNA)
where:
Base-Base interactions energy: -855.724
where: short stacking energy: -332.764
Base-Backbone interact. energy: -0.702
local terms energy: -369.660750
where:
bonds (distance) C4'-P energy: -74.104
bonds (distance) P-C4' energy: -78.265
flat angles C4'-P-C4' energy: -82.251
flat angles P-C4'-P energy: -52.819
tors. eta vs tors. theta energy: -82.220
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: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1185.987817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.987817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.987817 (E_RNA)
where:
Base-Base interactions energy: -809.870
where: short stacking energy: -333.110
Base-Backbone interact. energy: -4.931
local terms energy: -371.186943
where:
bonds (distance) C4'-P energy: -81.085
bonds (distance) P-C4' energy: -65.714
flat angles C4'-P-C4' energy: -80.599
flat angles P-C4'-P energy: -53.649
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: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1151.288942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.288942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.288942 (E_RNA)
where:
Base-Base interactions energy: -785.992
where: short stacking energy: -338.501
Base-Backbone interact. energy: -0.536
local terms energy: -364.760705
where:
bonds (distance) C4'-P energy: -73.382
bonds (distance) P-C4' energy: -73.944
flat angles C4'-P-C4' energy: -79.605
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: -92.245
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: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1089.853987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.853987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.853987 (E_RNA)
where:
Base-Base interactions energy: -776.467
where: short stacking energy: -313.156
Base-Backbone interact. energy: 0.227
local terms energy: -313.614207
where:
bonds (distance) C4'-P energy: -57.312
bonds (distance) P-C4' energy: -68.458
flat angles C4'-P-C4' energy: -72.119
flat angles P-C4'-P energy: -37.620
tors. eta vs tors. theta energy: -78.106
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: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -964.493743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.493743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.493743 (E_RNA)
where:
Base-Base interactions energy: -646.311
where: short stacking energy: -286.416
Base-Backbone interact. energy: -0.093
local terms energy: -318.089813
where:
bonds (distance) C4'-P energy: -70.670
bonds (distance) P-C4' energy: -65.958
flat angles C4'-P-C4' energy: -66.966
flat angles P-C4'-P energy: -41.176
tors. eta vs tors. theta energy: -73.319
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: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -882.987517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.987517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.987517 (E_RNA)
where:
Base-Base interactions energy: -613.331
where: short stacking energy: -253.761
Base-Backbone interact. energy: 4.017
local terms energy: -273.673884
where:
bonds (distance) C4'-P energy: -53.528
bonds (distance) P-C4' energy: -60.401
flat angles C4'-P-C4' energy: -66.102
flat angles P-C4'-P energy: -42.947
tors. eta vs tors. theta energy: -50.696
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: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -724.753535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.753535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.753535 (E_RNA)
where:
Base-Base interactions energy: -459.654
where: short stacking energy: -198.730
Base-Backbone interact. energy: 0.831
local terms energy: -265.930713
where:
bonds (distance) C4'-P energy: -69.333
bonds (distance) P-C4' energy: -66.099
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -39.973
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: 84
Temperature: 1.350000
Total energy: -605.862537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.862537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.862537 (E_RNA)
where:
Base-Base interactions energy: -365.504
where: short stacking energy: -157.664
Base-Backbone interact. energy: -0.247
local terms energy: -240.111069
where:
bonds (distance) C4'-P energy: -60.988
bonds (distance) P-C4' energy: -54.012
flat angles C4'-P-C4' energy: -62.382
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -22.950
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: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1281.168251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.168251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.168251 (E_RNA)
where:
Base-Base interactions energy: -877.198
where: short stacking energy: -393.114
Base-Backbone interact. energy: -3.336
local terms energy: -400.633492
where:
bonds (distance) C4'-P energy: -75.639
bonds (distance) P-C4' energy: -75.030
flat angles C4'-P-C4' energy: -84.192
flat angles P-C4'-P energy: -60.306
tors. eta vs tors. theta energy: -105.467
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1263.724372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.724372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.724372 (E_RNA)
where:
Base-Base interactions energy: -886.855
where: short stacking energy: -361.121
Base-Backbone interact. energy: -2.478
local terms energy: -374.391288
where:
bonds (distance) C4'-P energy: -75.266
bonds (distance) P-C4' energy: -69.534
flat angles C4'-P-C4' energy: -75.905
flat angles P-C4'-P energy: -59.118
tors. eta vs tors. theta energy: -94.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1220.540496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.540496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.540496 (E_RNA)
where:
Base-Base interactions energy: -879.247
where: short stacking energy: -344.392
Base-Backbone interact. energy: -0.916
local terms energy: -340.376709
where:
bonds (distance) C4'-P energy: -64.989
bonds (distance) P-C4' energy: -67.249
flat angles C4'-P-C4' energy: -76.491
flat angles P-C4'-P energy: -50.435
tors. eta vs tors. theta energy: -81.212
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: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1180.945891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.945891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.945891 (E_RNA)
where:
Base-Base interactions energy: -826.401
where: short stacking energy: -348.213
Base-Backbone interact. energy: 1.235
local terms energy: -355.779986
where:
bonds (distance) C4'-P energy: -74.747
bonds (distance) P-C4' energy: -69.535
flat angles C4'-P-C4' energy: -69.440
flat angles P-C4'-P energy: -51.716
tors. eta vs tors. theta energy: -90.343
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: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1156.081178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.081178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.081178 (E_RNA)
where:
Base-Base interactions energy: -811.025
where: short stacking energy: -351.955
Base-Backbone interact. energy: 0.018
local terms energy: -345.074395
where:
bonds (distance) C4'-P energy: -78.080
bonds (distance) P-C4' energy: -70.437
flat angles C4'-P-C4' energy: -61.550
flat angles P-C4'-P energy: -36.815
tors. eta vs tors. theta energy: -98.193
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: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1113.343909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.343909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.343909 (E_RNA)
where:
Base-Base interactions energy: -766.455
where: short stacking energy: -326.854
Base-Backbone interact. energy: -0.867
local terms energy: -346.022418
where:
bonds (distance) C4'-P energy: -68.072
bonds (distance) P-C4' energy: -59.913
flat angles C4'-P-C4' energy: -87.671
flat angles P-C4'-P energy: -53.398
tors. eta vs tors. theta energy: -76.969
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: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -991.986421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.986421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.986421 (E_RNA)
where:
Base-Base interactions energy: -659.813
where: short stacking energy: -286.191
Base-Backbone interact. energy: -2.062
local terms energy: -330.110681
where:
bonds (distance) C4'-P energy: -71.690
bonds (distance) P-C4' energy: -69.338
flat angles C4'-P-C4' energy: -61.208
flat angles P-C4'-P energy: -56.410
tors. eta vs tors. theta energy: -71.464
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -870.352062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.352062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.352062 (E_RNA)
where:
Base-Base interactions energy: -571.786
where: short stacking energy: -258.941
Base-Backbone interact. energy: -0.377
local terms energy: -298.188775
where:
bonds (distance) C4'-P energy: -47.368
bonds (distance) P-C4' energy: -69.745
flat angles C4'-P-C4' energy: -64.867
flat angles P-C4'-P energy: -44.524
tors. eta vs tors. theta energy: -71.685
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: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -782.887737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.887737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.887737 (E_RNA)
where:
Base-Base interactions energy: -499.002
where: short stacking energy: -235.625
Base-Backbone interact. energy: -0.516
local terms energy: -283.369800
where:
bonds (distance) C4'-P energy: -57.083
bonds (distance) P-C4' energy: -65.814
flat angles C4'-P-C4' energy: -72.500
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -45.559
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: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -574.150141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.150141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.150141 (E_RNA)
where:
Base-Base interactions energy: -356.646
where: short stacking energy: -163.181
Base-Backbone interact. energy: 0.034
local terms energy: -217.538789
where:
bonds (distance) C4'-P energy: -51.231
bonds (distance) P-C4' energy: -64.041
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: -9.352
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: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1306.811137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.811137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.811137 (E_RNA)
where:
Base-Base interactions energy: -940.308
where: short stacking energy: -386.374
Base-Backbone interact. energy: 0.350
local terms energy: -366.853414
where:
bonds (distance) C4'-P energy: -63.200
bonds (distance) P-C4' energy: -72.624
flat angles C4'-P-C4' energy: -85.472
flat angles P-C4'-P energy: -51.101
tors. eta vs tors. theta energy: -94.456
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: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1295.787683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.787683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.787683 (E_RNA)
where:
Base-Base interactions energy: -912.830
where: short stacking energy: -394.744
Base-Backbone interact. energy: 0.850
local terms energy: -383.807914
where:
bonds (distance) C4'-P energy: -75.502
bonds (distance) P-C4' energy: -66.374
flat angles C4'-P-C4' energy: -80.612
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -111.654
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: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1222.292385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.292385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.292385 (E_RNA)
where:
Base-Base interactions energy: -865.372
where: short stacking energy: -350.323
Base-Backbone interact. energy: -3.012
local terms energy: -353.907962
where:
bonds (distance) C4'-P energy: -68.180
bonds (distance) P-C4' energy: -66.407
flat angles C4'-P-C4' energy: -80.485
flat angles P-C4'-P energy: -59.963
tors. eta vs tors. theta energy: -78.873
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: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1209.290627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.290627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.290627 (E_RNA)
where:
Base-Base interactions energy: -846.088
where: short stacking energy: -355.263
Base-Backbone interact. energy: -1.801
local terms energy: -361.401221
where:
bonds (distance) C4'-P energy: -72.280
bonds (distance) P-C4' energy: -77.348
flat angles C4'-P-C4' energy: -77.931
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -87.612
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: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1131.378742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.378742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.378742 (E_RNA)
where:
Base-Base interactions energy: -786.036
where: short stacking energy: -341.607
Base-Backbone interact. energy: 0.304
local terms energy: -345.646559
where:
bonds (distance) C4'-P energy: -59.709
bonds (distance) P-C4' energy: -63.648
flat angles C4'-P-C4' energy: -77.867
flat angles P-C4'-P energy: -51.756
tors. eta vs tors. theta energy: -92.666
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: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1110.887173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.887173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.887173 (E_RNA)
where:
Base-Base interactions energy: -768.621
where: short stacking energy: -329.790
Base-Backbone interact. energy: -0.243
local terms energy: -342.022499
where:
bonds (distance) C4'-P energy: -73.521
bonds (distance) P-C4' energy: -60.368
flat angles C4'-P-C4' energy: -68.623
flat angles P-C4'-P energy: -52.544
tors. eta vs tors. theta energy: -86.967
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: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -998.992142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.992142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.992142 (E_RNA)
where:
Base-Base interactions energy: -670.093
where: short stacking energy: -311.220
Base-Backbone interact. energy: -2.170
local terms energy: -326.729341
where:
bonds (distance) C4'-P energy: -72.323
bonds (distance) P-C4' energy: -55.008
flat angles C4'-P-C4' energy: -67.414
flat angles P-C4'-P energy: -49.447
tors. eta vs tors. theta energy: -82.537
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: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -832.300192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.300192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.300192 (E_RNA)
where:
Base-Base interactions energy: -554.448
where: short stacking energy: -232.930
Base-Backbone interact. energy: -2.425
local terms energy: -275.427905
where:
bonds (distance) C4'-P energy: -63.919
bonds (distance) P-C4' energy: -65.415
flat angles C4'-P-C4' energy: -59.247
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -47.044
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: 86
Temperature: 1.300000
Total energy: -754.962620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.962620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.962620 (E_RNA)
where:
Base-Base interactions energy: -494.474
where: short stacking energy: -215.047
Base-Backbone interact. energy: -0.837
local terms energy: -259.651172
where:
bonds (distance) C4'-P energy: -59.506
bonds (distance) P-C4' energy: -50.718
flat angles C4'-P-C4' energy: -55.933
flat angles P-C4'-P energy: -51.668
tors. eta vs tors. theta energy: -41.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -605.292034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.292034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.292034 (E_RNA)
where:
Base-Base interactions energy: -384.512
where: short stacking energy: -174.341
Base-Backbone interact. energy: 7.700
local terms energy: -228.479994
where:
bonds (distance) C4'-P energy: -54.100
bonds (distance) P-C4' energy: -66.361
flat angles C4'-P-C4' energy: -65.092
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -16.880
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: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1312.199935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.199935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.199935 (E_RNA)
where:
Base-Base interactions energy: -930.730
where: short stacking energy: -389.347
Base-Backbone interact. energy: -2.079
local terms energy: -379.391014
where:
bonds (distance) C4'-P energy: -70.067
bonds (distance) P-C4' energy: -72.765
flat angles C4'-P-C4' energy: -82.266
flat angles P-C4'-P energy: -53.696
tors. eta vs tors. theta energy: -100.598
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: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1287.906004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.906004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.906004 (E_RNA)
where:
Base-Base interactions energy: -876.794
where: short stacking energy: -377.370
Base-Backbone interact. energy: 1.224
local terms energy: -412.336875
where:
bonds (distance) C4'-P energy: -74.786
bonds (distance) P-C4' energy: -82.156
flat angles C4'-P-C4' energy: -78.878
flat angles P-C4'-P energy: -66.061
tors. eta vs tors. theta energy: -110.456
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: 87
Temperature: 1.000000
Total energy: -1252.342035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.342035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.342035 (E_RNA)
where:
Base-Base interactions energy: -880.022
where: short stacking energy: -341.647
Base-Backbone interact. energy: -1.940
local terms energy: -370.379191
where:
bonds (distance) C4'-P energy: -68.848
bonds (distance) P-C4' energy: -74.059
flat angles C4'-P-C4' energy: -82.405
flat angles P-C4'-P energy: -55.081
tors. eta vs tors. theta energy: -89.986
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: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1210.717683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.717683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.717683 (E_RNA)
where:
Base-Base interactions energy: -859.364
where: short stacking energy: -376.635
Base-Backbone interact. energy: -2.676
local terms energy: -348.677629
where:
bonds (distance) C4'-P energy: -63.930
bonds (distance) P-C4' energy: -70.142
flat angles C4'-P-C4' energy: -78.658
flat angles P-C4'-P energy: -41.044
tors. eta vs tors. theta energy: -94.903
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: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1165.409299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.409299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.409299 (E_RNA)
where:
Base-Base interactions energy: -831.000
where: short stacking energy: -345.022
Base-Backbone interact. energy: -1.650
local terms energy: -332.758516
where:
bonds (distance) C4'-P energy: -63.712
bonds (distance) P-C4' energy: -65.769
flat angles C4'-P-C4' energy: -67.486
flat angles P-C4'-P energy: -45.051
tors. eta vs tors. theta energy: -90.742
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: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1117.406764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.406764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.406764 (E_RNA)
where:
Base-Base interactions energy: -755.864
where: short stacking energy: -320.357
Base-Backbone interact. energy: -0.088
local terms energy: -361.454572
where:
bonds (distance) C4'-P energy: -63.481
bonds (distance) P-C4' energy: -80.781
flat angles C4'-P-C4' energy: -78.335
flat angles P-C4'-P energy: -49.798
tors. eta vs tors. theta energy: -89.059
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: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1039.264664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.264664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.264664 (E_RNA)
where:
Base-Base interactions energy: -698.176
where: short stacking energy: -324.461
Base-Backbone interact. energy: -0.409
local terms energy: -340.679403
where:
bonds (distance) C4'-P energy: -59.123
bonds (distance) P-C4' energy: -59.114
flat angles C4'-P-C4' energy: -76.996
flat angles P-C4'-P energy: -61.137
tors. eta vs tors. theta energy: -84.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -815.362419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.362419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.362419 (E_RNA)
where:
Base-Base interactions energy: -541.702
where: short stacking energy: -233.976
Base-Backbone interact. energy: 0.121
local terms energy: -273.781445
where:
bonds (distance) C4'-P energy: -49.717
bonds (distance) P-C4' energy: -67.367
flat angles C4'-P-C4' energy: -55.421
flat angles P-C4'-P energy: -49.145
tors. eta vs tors. theta energy: -52.131
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: 87
Temperature: 1.300000
Total energy: -755.830442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.830442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.830442 (E_RNA)
where:
Base-Base interactions energy: -481.583
where: short stacking energy: -212.352
Base-Backbone interact. energy: -1.062
local terms energy: -273.185964
where:
bonds (distance) C4'-P energy: -55.145
bonds (distance) P-C4' energy: -62.002
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -44.878
tors. eta vs tors. theta energy: -50.657
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: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -618.587986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.587986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.587986 (E_RNA)
where:
Base-Base interactions energy: -399.487
where: short stacking energy: -181.459
Base-Backbone interact. energy: 1.261
local terms energy: -220.361310
where:
bonds (distance) C4'-P energy: -57.139
bonds (distance) P-C4' energy: -42.333
flat angles C4'-P-C4' energy: -59.404
flat angles P-C4'-P energy: -39.190
tors. eta vs tors. theta energy: -22.295
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: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1313.901440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.901440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.901440 (E_RNA)
where:
Base-Base interactions energy: -907.892
where: short stacking energy: -401.737
Base-Backbone interact. energy: -0.191
local terms energy: -405.818753
where:
bonds (distance) C4'-P energy: -79.725
bonds (distance) P-C4' energy: -73.461
flat angles C4'-P-C4' energy: -88.515
flat angles P-C4'-P energy: -54.132
tors. eta vs tors. theta energy: -109.986
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: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1278.482703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.482703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.482703 (E_RNA)
where:
Base-Base interactions energy: -896.518
where: short stacking energy: -377.381
Base-Backbone interact. energy: -1.165
local terms energy: -380.799265
where:
bonds (distance) C4'-P energy: -68.779
bonds (distance) P-C4' energy: -81.999
flat angles C4'-P-C4' energy: -84.314
flat angles P-C4'-P energy: -41.803
tors. eta vs tors. theta energy: -103.904
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: 88
Temperature: 1.000000
Total energy: -1272.477322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.477322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.477322 (E_RNA)
where:
Base-Base interactions energy: -932.937
where: short stacking energy: -373.746
Base-Backbone interact. energy: -1.071
local terms energy: -338.468874
where:
bonds (distance) C4'-P energy: -68.606
bonds (distance) P-C4' energy: -64.064
flat angles C4'-P-C4' energy: -69.610
flat angles P-C4'-P energy: -38.684
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: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1193.818262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.818262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.818262 (E_RNA)
where:
Base-Base interactions energy: -839.502
where: short stacking energy: -340.743
Base-Backbone interact. energy: -3.742
local terms energy: -350.574829
where:
bonds (distance) C4'-P energy: -64.431
bonds (distance) P-C4' energy: -72.481
flat angles C4'-P-C4' energy: -82.977
flat angles P-C4'-P energy: -46.346
tors. eta vs tors. theta energy: -84.339
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: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1136.818024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.818024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.818024 (E_RNA)
where:
Base-Base interactions energy: -776.250
where: short stacking energy: -327.206
Base-Backbone interact. energy: -0.335
local terms energy: -360.233163
where:
bonds (distance) C4'-P energy: -74.930
bonds (distance) P-C4' energy: -68.050
flat angles C4'-P-C4' energy: -71.708
flat angles P-C4'-P energy: -54.379
tors. eta vs tors. theta energy: -91.167
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: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1126.992000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.992000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.992000 (E_RNA)
where:
Base-Base interactions energy: -813.921
where: short stacking energy: -322.816
Base-Backbone interact. energy: 0.348
local terms energy: -313.418621
where:
bonds (distance) C4'-P energy: -54.166
bonds (distance) P-C4' energy: -55.577
flat angles C4'-P-C4' energy: -76.203
flat angles P-C4'-P energy: -46.359
tors. eta vs tors. theta energy: -81.114
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: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -979.796587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.796587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.796587 (E_RNA)
where:
Base-Base interactions energy: -666.123
where: short stacking energy: -288.215
Base-Backbone interact. energy: 0.732
local terms energy: -314.405101
where:
bonds (distance) C4'-P energy: -65.828
bonds (distance) P-C4' energy: -71.473
flat angles C4'-P-C4' energy: -58.272
flat angles P-C4'-P energy: -47.029
tors. eta vs tors. theta energy: -71.802
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: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -850.516571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.516571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.516571 (E_RNA)
where:
Base-Base interactions energy: -573.486
where: short stacking energy: -246.819
Base-Backbone interact. energy: 0.080
local terms energy: -277.110363
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -62.103
flat angles C4'-P-C4' energy: -65.419
flat angles P-C4'-P energy: -52.008
tors. eta vs tors. theta energy: -54.068
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: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -757.002745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.002745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.002745 (E_RNA)
where:
Base-Base interactions energy: -465.158
where: short stacking energy: -188.452
Base-Backbone interact. energy: 0.817
local terms energy: -292.661115
where:
bonds (distance) C4'-P energy: -67.012
bonds (distance) P-C4' energy: -79.709
flat angles C4'-P-C4' energy: -59.589
flat angles P-C4'-P energy: -54.231
tors. eta vs tors. theta energy: -32.120
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: 88
Temperature: 1.350000
Total energy: -624.052556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.052556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.052556 (E_RNA)
where:
Base-Base interactions energy: -374.609
where: short stacking energy: -186.306
Base-Backbone interact. energy: -1.372
local terms energy: -248.071601
where:
bonds (distance) C4'-P energy: -56.172
bonds (distance) P-C4' energy: -59.856
flat angles C4'-P-C4' energy: -72.738
flat angles P-C4'-P energy: -33.012
tors. eta vs tors. theta energy: -26.294
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: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1310.613982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.613982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.613982 (E_RNA)
where:
Base-Base interactions energy: -912.979
where: short stacking energy: -396.261
Base-Backbone interact. energy: -1.736
local terms energy: -395.899021
where:
bonds (distance) C4'-P energy: -73.243
bonds (distance) P-C4' energy: -67.252
flat angles C4'-P-C4' energy: -78.047
flat angles P-C4'-P energy: -62.430
tors. eta vs tors. theta energy: -114.927
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: 89
Temperature: 0.950000
Total energy: -1282.068353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.068353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.068353 (E_RNA)
where:
Base-Base interactions energy: -926.056
where: short stacking energy: -371.716
Base-Backbone interact. energy: -3.891
local terms energy: -352.121511
where:
bonds (distance) C4'-P energy: -68.319
bonds (distance) P-C4' energy: -61.238
flat angles C4'-P-C4' energy: -77.976
flat angles P-C4'-P energy: -48.587
tors. eta vs tors. theta energy: -96.002
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: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1274.249710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.249710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.249710 (E_RNA)
where:
Base-Base interactions energy: -870.632
where: short stacking energy: -366.375
Base-Backbone interact. energy: -2.258
local terms energy: -401.359615
where:
bonds (distance) C4'-P energy: -79.212
bonds (distance) P-C4' energy: -85.229
flat angles C4'-P-C4' energy: -83.738
flat angles P-C4'-P energy: -57.185
tors. eta vs tors. theta energy: -95.995
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: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1200.043915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.043915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.043915 (E_RNA)
where:
Base-Base interactions energy: -837.393
where: short stacking energy: -354.637
Base-Backbone interact. energy: -1.403
local terms energy: -361.247549
where:
bonds (distance) C4'-P energy: -57.215
bonds (distance) P-C4' energy: -65.217
flat angles C4'-P-C4' energy: -77.060
flat angles P-C4'-P energy: -61.565
tors. eta vs tors. theta energy: -100.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1167.065568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.065568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.065568 (E_RNA)
where:
Base-Base interactions energy: -814.928
where: short stacking energy: -330.442
Base-Backbone interact. energy: -1.761
local terms energy: -350.376721
where:
bonds (distance) C4'-P energy: -67.285
bonds (distance) P-C4' energy: -67.942
flat angles C4'-P-C4' energy: -80.739
flat angles P-C4'-P energy: -42.589
tors. eta vs tors. theta energy: -91.821
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: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1107.388544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.388544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.388544 (E_RNA)
where:
Base-Base interactions energy: -772.072
where: short stacking energy: -321.956
Base-Backbone interact. energy: -1.167
local terms energy: -334.149187
where:
bonds (distance) C4'-P energy: -56.857
bonds (distance) P-C4' energy: -69.030
flat angles C4'-P-C4' energy: -78.541
flat angles P-C4'-P energy: -45.964
tors. eta vs tors. theta energy: -83.756
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: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -999.729659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.729659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.729659 (E_RNA)
where:
Base-Base interactions energy: -684.874
where: short stacking energy: -285.635
Base-Backbone interact. energy: 0.170
local terms energy: -315.024858
where:
bonds (distance) C4'-P energy: -58.344
bonds (distance) P-C4' energy: -71.524
flat angles C4'-P-C4' energy: -68.077
flat angles P-C4'-P energy: -39.300
tors. eta vs tors. theta energy: -77.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -898.796769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.796769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.796769 (E_RNA)
where:
Base-Base interactions energy: -585.667
where: short stacking energy: -229.967
Base-Backbone interact. energy: -0.751
local terms energy: -312.378125
where:
bonds (distance) C4'-P energy: -76.278
bonds (distance) P-C4' energy: -72.543
flat angles C4'-P-C4' energy: -77.896
flat angles P-C4'-P energy: -30.059
tors. eta vs tors. theta energy: -55.602
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: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -728.854174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.854174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.854174 (E_RNA)
where:
Base-Base interactions energy: -472.276
where: short stacking energy: -214.850
Base-Backbone interact. energy: -1.498
local terms energy: -255.079651
where:
bonds (distance) C4'-P energy: -59.663
bonds (distance) P-C4' energy: -53.381
flat angles C4'-P-C4' energy: -62.781
flat angles P-C4'-P energy: -42.016
tors. eta vs tors. theta energy: -37.238
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: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -610.604967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.604967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.604967 (E_RNA)
where:
Base-Base interactions energy: -389.596
where: short stacking energy: -164.716
Base-Backbone interact. energy: -0.459
local terms energy: -220.549667
where:
bonds (distance) C4'-P energy: -67.229
bonds (distance) P-C4' energy: -65.349
flat angles C4'-P-C4' energy: -47.271
flat angles P-C4'-P energy: -28.806
tors. eta vs tors. theta energy: -11.894
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: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1319.453652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.453652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.453652 (E_RNA)
where:
Base-Base interactions energy: -924.332
where: short stacking energy: -394.464
Base-Backbone interact. energy: 1.683
local terms energy: -396.804627
where:
bonds (distance) C4'-P energy: -76.977
bonds (distance) P-C4' energy: -74.923
flat angles C4'-P-C4' energy: -79.133
flat angles P-C4'-P energy: -49.826
tors. eta vs tors. theta energy: -115.946
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: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1290.614023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.614023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.614023 (E_RNA)
where:
Base-Base interactions energy: -925.709
where: short stacking energy: -373.289
Base-Backbone interact. energy: -1.146
local terms energy: -363.758958
where:
bonds (distance) C4'-P energy: -56.937
bonds (distance) P-C4' energy: -72.652
flat angles C4'-P-C4' energy: -81.351
flat angles P-C4'-P energy: -54.877
tors. eta vs tors. theta energy: -97.942
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: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1247.843626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.843626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.843626 (E_RNA)
where:
Base-Base interactions energy: -870.404
where: short stacking energy: -362.347
Base-Backbone interact. energy: -1.016
local terms energy: -376.423334
where:
bonds (distance) C4'-P energy: -74.601
bonds (distance) P-C4' energy: -75.292
flat angles C4'-P-C4' energy: -75.272
flat angles P-C4'-P energy: -55.905
tors. eta vs tors. theta energy: -95.354
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: 90
Temperature: 1.050000
Total energy: -1220.802308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.802308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.802308 (E_RNA)
where:
Base-Base interactions energy: -862.404
where: short stacking energy: -368.618
Base-Backbone interact. energy: 0.231
local terms energy: -358.628708
where:
bonds (distance) C4'-P energy: -65.350
bonds (distance) P-C4' energy: -66.730
flat angles C4'-P-C4' energy: -75.229
flat angles P-C4'-P energy: -50.844
tors. eta vs tors. theta energy: -100.476
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: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1158.229968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.229968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.229968 (E_RNA)
where:
Base-Base interactions energy: -821.464
where: short stacking energy: -346.710
Base-Backbone interact. energy: -1.900
local terms energy: -334.866815
where:
bonds (distance) C4'-P energy: -54.425
bonds (distance) P-C4' energy: -70.519
flat angles C4'-P-C4' energy: -76.157
flat angles P-C4'-P energy: -41.854
tors. eta vs tors. theta energy: -91.912
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: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1073.940419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.940419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.940419 (E_RNA)
where:
Base-Base interactions energy: -740.517
where: short stacking energy: -295.616
Base-Backbone interact. energy: -3.015
local terms energy: -330.409136
where:
bonds (distance) C4'-P energy: -64.838
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -76.215
flat angles P-C4'-P energy: -50.913
tors. eta vs tors. theta energy: -72.342
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: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1007.928589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.928589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.928589 (E_RNA)
where:
Base-Base interactions energy: -697.236
where: short stacking energy: -307.275
Base-Backbone interact. energy: -1.654
local terms energy: -309.038772
where:
bonds (distance) C4'-P energy: -49.630
bonds (distance) P-C4' energy: -60.091
flat angles C4'-P-C4' energy: -66.516
flat angles P-C4'-P energy: -45.954
tors. eta vs tors. theta energy: -86.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -915.334818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.334818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.334818 (E_RNA)
where:
Base-Base interactions energy: -619.537
where: short stacking energy: -272.677
Base-Backbone interact. energy: -0.202
local terms energy: -295.595468
where:
bonds (distance) C4'-P energy: -53.873
bonds (distance) P-C4' energy: -70.321
flat angles C4'-P-C4' energy: -67.466
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -60.338
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: 90
Temperature: 1.300000
Total energy: -831.817343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.817343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.817343 (E_RNA)
where:
Base-Base interactions energy: -552.305
where: short stacking energy: -257.929
Base-Backbone interact. energy: 0.737
local terms energy: -280.248770
where:
bonds (distance) C4'-P energy: -54.102
bonds (distance) P-C4' energy: -57.381
flat angles C4'-P-C4' energy: -64.624
flat angles P-C4'-P energy: -28.694
tors. eta vs tors. theta energy: -75.447
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: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -619.295188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.295188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.295188 (E_RNA)
where:
Base-Base interactions energy: -391.768
where: short stacking energy: -185.422
Base-Backbone interact. energy: 1.150
local terms energy: -228.677598
where:
bonds (distance) C4'-P energy: -48.116
bonds (distance) P-C4' energy: -63.087
flat angles C4'-P-C4' energy: -62.116
flat angles P-C4'-P energy: -33.575
tors. eta vs tors. theta energy: -21.783
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: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1325.612626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.612626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.612626 (E_RNA)
where:
Base-Base interactions energy: -922.490
where: short stacking energy: -389.580
Base-Backbone interact. energy: -1.840
local terms energy: -401.283084
where:
bonds (distance) C4'-P energy: -88.360
bonds (distance) P-C4' energy: -76.991
flat angles C4'-P-C4' energy: -70.366
flat angles P-C4'-P energy: -48.297
tors. eta vs tors. theta energy: -117.268
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: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1281.829143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.829143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.829143 (E_RNA)
where:
Base-Base interactions energy: -920.325
where: short stacking energy: -364.881
Base-Backbone interact. energy: -1.480
local terms energy: -360.024742
where:
bonds (distance) C4'-P energy: -67.614
bonds (distance) P-C4' energy: -74.308
flat angles C4'-P-C4' energy: -71.684
flat angles P-C4'-P energy: -55.294
tors. eta vs tors. theta energy: -91.124
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: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1260.682679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.682679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.682679 (E_RNA)
where:
Base-Base interactions energy: -881.710
where: short stacking energy: -383.286
Base-Backbone interact. energy: -1.197
local terms energy: -377.775376
where:
bonds (distance) C4'-P energy: -57.451
bonds (distance) P-C4' energy: -75.152
flat angles C4'-P-C4' energy: -86.898
flat angles P-C4'-P energy: -59.828
tors. eta vs tors. theta energy: -98.447
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: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1222.729919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.729919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.729919 (E_RNA)
where:
Base-Base interactions energy: -844.219
where: short stacking energy: -366.898
Base-Backbone interact. energy: -0.438
local terms energy: -378.073491
where:
bonds (distance) C4'-P energy: -70.662
bonds (distance) P-C4' energy: -77.663
flat angles C4'-P-C4' energy: -78.575
flat angles P-C4'-P energy: -60.437
tors. eta vs tors. theta energy: -90.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1159.599610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.599610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.599610 (E_RNA)
where:
Base-Base interactions energy: -825.546
where: short stacking energy: -335.910
Base-Backbone interact. energy: -0.075
local terms energy: -333.978859
where:
bonds (distance) C4'-P energy: -70.389
bonds (distance) P-C4' energy: -56.479
flat angles C4'-P-C4' energy: -69.855
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -99.757
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: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1097.147127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.147127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.147127 (E_RNA)
where:
Base-Base interactions energy: -779.048
where: short stacking energy: -320.186
Base-Backbone interact. energy: -2.202
local terms energy: -315.897170
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -74.292
flat angles P-C4'-P energy: -41.447
tors. eta vs tors. theta energy: -82.225
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: 7, replica: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -990.582540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.582540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.582540 (E_RNA)
where:
Base-Base interactions energy: -672.611
where: short stacking energy: -288.069
Base-Backbone interact. energy: -0.768
local terms energy: -317.203931
where:
bonds (distance) C4'-P energy: -60.487
bonds (distance) P-C4' energy: -66.927
flat angles C4'-P-C4' energy: -58.568
flat angles P-C4'-P energy: -50.994
tors. eta vs tors. theta energy: -80.228
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: 8, replica: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -873.455252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.455252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.455252 (E_RNA)
where:
Base-Base interactions energy: -598.569
where: short stacking energy: -258.389
Base-Backbone interact. energy: 1.717
local terms energy: -276.603375
where:
bonds (distance) C4'-P energy: -59.673
bonds (distance) P-C4' energy: -56.330
flat angles C4'-P-C4' energy: -67.268
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: -54.348
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: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -855.309821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.309821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.309821 (E_RNA)
where:
Base-Base interactions energy: -574.072
where: short stacking energy: -252.845
Base-Backbone interact. energy: -0.465
local terms energy: -280.773265
where:
bonds (distance) C4'-P energy: -62.605
bonds (distance) P-C4' energy: -59.991
flat angles C4'-P-C4' energy: -69.127
flat angles P-C4'-P energy: -33.930
tors. eta vs tors. theta energy: -55.120
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: 91
Temperature: 1.350000
Total energy: -522.426270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.426270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.426270 (E_RNA)
where:
Base-Base interactions energy: -297.238
where: short stacking energy: -134.118
Base-Backbone interact. energy: -2.745
local terms energy: -222.444194
where:
bonds (distance) C4'-P energy: -66.931
bonds (distance) P-C4' energy: -67.326
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -38.770
tors. eta vs tors. theta energy: 8.235
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: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1314.942817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.942817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.942817 (E_RNA)
where:
Base-Base interactions energy: -924.582
where: short stacking energy: -419.227
Base-Backbone interact. energy: -2.982
local terms energy: -387.378575
where:
bonds (distance) C4'-P energy: -70.791
bonds (distance) P-C4' energy: -74.958
flat angles C4'-P-C4' energy: -79.515
flat angles P-C4'-P energy: -45.958
tors. eta vs tors. theta energy: -116.156
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: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1276.999562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.999562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.999562 (E_RNA)
where:
Base-Base interactions energy: -918.646
where: short stacking energy: -342.238
Base-Backbone interact. energy: -3.086
local terms energy: -355.267734
where:
bonds (distance) C4'-P energy: -73.976
bonds (distance) P-C4' energy: -68.983
flat angles C4'-P-C4' energy: -78.298
flat angles P-C4'-P energy: -42.256
tors. eta vs tors. theta energy: -91.755
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: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1246.700982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.700982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.700982 (E_RNA)
where:
Base-Base interactions energy: -873.734
where: short stacking energy: -375.699
Base-Backbone interact. energy: -2.803
local terms energy: -370.163691
where:
bonds (distance) C4'-P energy: -68.844
bonds (distance) P-C4' energy: -58.564
flat angles C4'-P-C4' energy: -81.972
flat angles P-C4'-P energy: -58.810
tors. eta vs tors. theta energy: -101.974
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: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1223.605110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.605110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.605110 (E_RNA)
where:
Base-Base interactions energy: -860.013
where: short stacking energy: -361.097
Base-Backbone interact. energy: -3.743
local terms energy: -359.848688
where:
bonds (distance) C4'-P energy: -70.181
bonds (distance) P-C4' energy: -63.238
flat angles C4'-P-C4' energy: -75.167
flat angles P-C4'-P energy: -51.486
tors. eta vs tors. theta energy: -99.776
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: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1154.267482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.267482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.267482 (E_RNA)
where:
Base-Base interactions energy: -803.442
where: short stacking energy: -335.888
Base-Backbone interact. energy: 0.503
local terms energy: -351.328179
where:
bonds (distance) C4'-P energy: -59.236
bonds (distance) P-C4' energy: -71.929
flat angles C4'-P-C4' energy: -78.268
flat angles P-C4'-P energy: -51.020
tors. eta vs tors. theta energy: -90.875
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: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1085.408486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.408486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.408486 (E_RNA)
where:
Base-Base interactions energy: -737.922
where: short stacking energy: -312.628
Base-Backbone interact. energy: -3.214
local terms energy: -344.272466
where:
bonds (distance) C4'-P energy: -63.014
bonds (distance) P-C4' energy: -65.089
flat angles C4'-P-C4' energy: -70.705
flat angles P-C4'-P energy: -61.787
tors. eta vs tors. theta energy: -83.678
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: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1002.684962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.684962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.684962 (E_RNA)
where:
Base-Base interactions energy: -664.463
where: short stacking energy: -294.898
Base-Backbone interact. energy: 0.406
local terms energy: -338.627717
where:
bonds (distance) C4'-P energy: -70.550
bonds (distance) P-C4' energy: -71.677
flat angles C4'-P-C4' energy: -72.238
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: -83.610
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: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -928.796003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.796003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.796003 (E_RNA)
where:
Base-Base interactions energy: -639.196
where: short stacking energy: -279.757
Base-Backbone interact. energy: 0.981
local terms energy: -290.581343
where:
bonds (distance) C4'-P energy: -64.339
bonds (distance) P-C4' energy: -65.268
flat angles C4'-P-C4' energy: -60.856
flat angles P-C4'-P energy: -35.501
tors. eta vs tors. theta energy: -64.617
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: 92
Temperature: 1.300000
Total energy: -840.705068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.705068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.705068 (E_RNA)
where:
Base-Base interactions energy: -561.246
where: short stacking energy: -262.033
Base-Backbone interact. energy: 0.193
local terms energy: -279.652311
where:
bonds (distance) C4'-P energy: -48.608
bonds (distance) P-C4' energy: -62.067
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -46.243
tors. eta vs tors. theta energy: -59.817
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: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -496.003188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.003188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.003188 (E_RNA)
where:
Base-Base interactions energy: -274.853
where: short stacking energy: -136.869
Base-Backbone interact. energy: 2.621
local terms energy: -223.771421
where:
bonds (distance) C4'-P energy: -55.674
bonds (distance) P-C4' energy: -65.361
flat angles C4'-P-C4' energy: -54.653
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -14.313
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: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1302.222313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.222313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.222313 (E_RNA)
where:
Base-Base interactions energy: -904.282
where: short stacking energy: -412.228
Base-Backbone interact. energy: -1.056
local terms energy: -396.884176
where:
bonds (distance) C4'-P energy: -68.333
bonds (distance) P-C4' energy: -75.051
flat angles C4'-P-C4' energy: -82.285
flat angles P-C4'-P energy: -55.792
tors. eta vs tors. theta energy: -115.424
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: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1302.351073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.351073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.351073 (E_RNA)
where:
Base-Base interactions energy: -934.120
where: short stacking energy: -414.476
Base-Backbone interact. energy: -0.705
local terms energy: -367.525758
where:
bonds (distance) C4'-P energy: -64.430
bonds (distance) P-C4' energy: -66.245
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -48.634
tors. eta vs tors. theta energy: -111.921
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: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1234.178755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.178755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.178755 (E_RNA)
where:
Base-Base interactions energy: -860.925
where: short stacking energy: -338.528
Base-Backbone interact. energy: -1.133
local terms energy: -372.120750
where:
bonds (distance) C4'-P energy: -81.190
bonds (distance) P-C4' energy: -66.553
flat angles C4'-P-C4' energy: -83.906
flat angles P-C4'-P energy: -55.063
tors. eta vs tors. theta energy: -85.410
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: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1197.880112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.880112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.880112 (E_RNA)
where:
Base-Base interactions energy: -827.472
where: short stacking energy: -352.185
Base-Backbone interact. energy: -1.180
local terms energy: -369.228279
where:
bonds (distance) C4'-P energy: -59.355
bonds (distance) P-C4' energy: -79.323
flat angles C4'-P-C4' energy: -81.284
flat angles P-C4'-P energy: -56.986
tors. eta vs tors. theta energy: -92.280
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: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1171.959307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.959307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.959307 (E_RNA)
where:
Base-Base interactions energy: -841.173
where: short stacking energy: -346.881
Base-Backbone interact. energy: -1.484
local terms energy: -329.302020
where:
bonds (distance) C4'-P energy: -60.317
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -80.472
flat angles P-C4'-P energy: -39.201
tors. eta vs tors. theta energy: -98.545
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: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1118.232367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.232367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.232367 (E_RNA)
where:
Base-Base interactions energy: -781.120
where: short stacking energy: -334.041
Base-Backbone interact. energy: 0.589
local terms energy: -337.701273
where:
bonds (distance) C4'-P energy: -61.771
bonds (distance) P-C4' energy: -55.795
flat angles C4'-P-C4' energy: -79.918
flat angles P-C4'-P energy: -48.432
tors. eta vs tors. theta energy: -91.785
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: 93
Temperature: 1.200000
Total energy: -1024.868578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.868578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.868578 (E_RNA)
where:
Base-Base interactions energy: -699.325
where: short stacking energy: -320.086
Base-Backbone interact. energy: -0.139
local terms energy: -325.404275
where:
bonds (distance) C4'-P energy: -61.512
bonds (distance) P-C4' energy: -62.243
flat angles C4'-P-C4' energy: -71.001
flat angles P-C4'-P energy: -42.364
tors. eta vs tors. theta energy: -88.284
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: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -956.185352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.185352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.185352 (E_RNA)
where:
Base-Base interactions energy: -652.494
where: short stacking energy: -261.328
Base-Backbone interact. energy: -1.070
local terms energy: -302.621847
where:
bonds (distance) C4'-P energy: -62.790
bonds (distance) P-C4' energy: -71.296
flat angles C4'-P-C4' energy: -62.299
flat angles P-C4'-P energy: -40.643
tors. eta vs tors. theta energy: -65.595
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: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -863.780982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.780982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.780982 (E_RNA)
where:
Base-Base interactions energy: -585.194
where: short stacking energy: -248.590
Base-Backbone interact. energy: -1.360
local terms energy: -277.226885
where:
bonds (distance) C4'-P energy: -50.344
bonds (distance) P-C4' energy: -56.791
flat angles C4'-P-C4' energy: -74.016
flat angles P-C4'-P energy: -47.707
tors. eta vs tors. theta energy: -48.368
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: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -555.776692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.776692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.776692 (E_RNA)
where:
Base-Base interactions energy: -303.557
where: short stacking energy: -168.226
Base-Backbone interact. energy: 0.515
local terms energy: -252.734246
where:
bonds (distance) C4'-P energy: -57.854
bonds (distance) P-C4' energy: -62.493
flat angles C4'-P-C4' energy: -61.163
flat angles P-C4'-P energy: -35.248
tors. eta vs tors. theta energy: -35.977
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: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1313.782411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.782411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.782411 (E_RNA)
where:
Base-Base interactions energy: -897.292
where: short stacking energy: -378.729
Base-Backbone interact. energy: 0.059
local terms energy: -416.548900
where:
bonds (distance) C4'-P energy: -72.072
bonds (distance) P-C4' energy: -88.390
flat angles C4'-P-C4' energy: -90.386
flat angles P-C4'-P energy: -62.411
tors. eta vs tors. theta energy: -103.291
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: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1306.505144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.505144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.505144 (E_RNA)
where:
Base-Base interactions energy: -924.261
where: short stacking energy: -416.695
Base-Backbone interact. energy: -2.350
local terms energy: -379.894171
where:
bonds (distance) C4'-P energy: -65.664
bonds (distance) P-C4' energy: -71.680
flat angles C4'-P-C4' energy: -84.833
flat angles P-C4'-P energy: -50.726
tors. eta vs tors. theta energy: -106.990
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: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1229.744179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.744179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.744179 (E_RNA)
where:
Base-Base interactions energy: -833.495
where: short stacking energy: -340.840
Base-Backbone interact. energy: -1.833
local terms energy: -394.416531
where:
bonds (distance) C4'-P energy: -74.667
bonds (distance) P-C4' energy: -81.659
flat angles C4'-P-C4' energy: -87.483
flat angles P-C4'-P energy: -53.969
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: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1208.698493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.698493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.698493 (E_RNA)
where:
Base-Base interactions energy: -867.547
where: short stacking energy: -340.806
Base-Backbone interact. energy: -1.570
local terms energy: -339.581487
where:
bonds (distance) C4'-P energy: -58.490
bonds (distance) P-C4' energy: -68.420
flat angles C4'-P-C4' energy: -83.684
flat angles P-C4'-P energy: -48.170
tors. eta vs tors. theta energy: -80.818
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: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1195.052245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.052245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.052245 (E_RNA)
where:
Base-Base interactions energy: -852.715
where: short stacking energy: -355.754
Base-Backbone interact. energy: -0.070
local terms energy: -342.267692
where:
bonds (distance) C4'-P energy: -70.306
bonds (distance) P-C4' energy: -59.367
flat angles C4'-P-C4' energy: -78.903
flat angles P-C4'-P energy: -37.324
tors. eta vs tors. theta energy: -96.368
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: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1112.412358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.412358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.412358 (E_RNA)
where:
Base-Base interactions energy: -770.282
where: short stacking energy: -336.545
Base-Backbone interact. energy: -1.071
local terms energy: -341.058502
where:
bonds (distance) C4'-P energy: -71.666
bonds (distance) P-C4' energy: -62.543
flat angles C4'-P-C4' energy: -69.324
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -84.636
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: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1011.699059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699059 (E_RNA)
where:
Base-Base interactions energy: -682.595
where: short stacking energy: -308.185
Base-Backbone interact. energy: -1.078
local terms energy: -328.026269
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -75.345
flat angles C4'-P-C4' energy: -71.382
flat angles P-C4'-P energy: -52.250
tors. eta vs tors. theta energy: -75.532
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: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -973.612545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.612545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.612545 (E_RNA)
where:
Base-Base interactions energy: -675.008
where: short stacking energy: -280.750
Base-Backbone interact. energy: 0.967
local terms energy: -299.571751
where:
bonds (distance) C4'-P energy: -65.545
bonds (distance) P-C4' energy: -52.389
flat angles C4'-P-C4' energy: -61.350
flat angles P-C4'-P energy: -48.461
tors. eta vs tors. theta energy: -71.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -915.909711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.909711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.909711 (E_RNA)
where:
Base-Base interactions energy: -632.806
where: short stacking energy: -256.024
Base-Backbone interact. energy: -1.150
local terms energy: -281.953987
where:
bonds (distance) C4'-P energy: -61.586
bonds (distance) P-C4' energy: -63.014
flat angles C4'-P-C4' energy: -61.233
flat angles P-C4'-P energy: -33.696
tors. eta vs tors. theta energy: -62.425
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: 94
Temperature: 1.350000
Total energy: -489.882709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.882709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.882709 (E_RNA)
where:
Base-Base interactions energy: -266.843
where: short stacking energy: -109.697
Base-Backbone interact. energy: -2.449
local terms energy: -220.590906
where:
bonds (distance) C4'-P energy: -68.200
bonds (distance) P-C4' energy: -62.876
flat angles C4'-P-C4' energy: -53.479
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -1.869
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: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1322.722046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.722046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.722046 (E_RNA)
where:
Base-Base interactions energy: -908.132
where: short stacking energy: -395.632
Base-Backbone interact. energy: -2.312
local terms energy: -412.277990
where:
bonds (distance) C4'-P energy: -78.900
bonds (distance) P-C4' energy: -76.963
flat angles C4'-P-C4' energy: -85.520
flat angles P-C4'-P energy: -59.623
tors. eta vs tors. theta energy: -111.271
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: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1283.317346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.317346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.317346 (E_RNA)
where:
Base-Base interactions energy: -898.364
where: short stacking energy: -408.928
Base-Backbone interact. energy: -1.237
local terms energy: -383.715538
where:
bonds (distance) C4'-P energy: -64.568
bonds (distance) P-C4' energy: -66.836
flat angles C4'-P-C4' energy: -81.121
flat angles P-C4'-P energy: -53.149
tors. eta vs tors. theta energy: -118.040
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: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1217.069291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.069291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.069291 (E_RNA)
where:
Base-Base interactions energy: -839.133
where: short stacking energy: -367.150
Base-Backbone interact. energy: 0.662
local terms energy: -378.597841
where:
bonds (distance) C4'-P energy: -75.489
bonds (distance) P-C4' energy: -71.347
flat angles C4'-P-C4' energy: -77.524
flat angles P-C4'-P energy: -48.668
tors. eta vs tors. theta energy: -105.571
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: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1203.612783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.612783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.612783 (E_RNA)
where:
Base-Base interactions energy: -866.028
where: short stacking energy: -328.768
Base-Backbone interact. energy: -2.606
local terms energy: -334.978066
where:
bonds (distance) C4'-P energy: -61.235
bonds (distance) P-C4' energy: -68.405
flat angles C4'-P-C4' energy: -79.555
flat angles P-C4'-P energy: -46.110
tors. eta vs tors. theta energy: -79.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1162.393208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.393208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.393208 (E_RNA)
where:
Base-Base interactions energy: -829.724
where: short stacking energy: -333.503
Base-Backbone interact. energy: -1.107
local terms energy: -331.562182
where:
bonds (distance) C4'-P energy: -73.640
bonds (distance) P-C4' energy: -61.610
flat angles C4'-P-C4' energy: -72.824
flat angles P-C4'-P energy: -40.474
tors. eta vs tors. theta energy: -83.015
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: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1075.464690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.464690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.464690 (E_RNA)
where:
Base-Base interactions energy: -755.607
where: short stacking energy: -314.383
Base-Backbone interact. energy: -1.371
local terms energy: -318.485888
where:
bonds (distance) C4'-P energy: -52.057
bonds (distance) P-C4' energy: -59.263
flat angles C4'-P-C4' energy: -73.353
flat angles P-C4'-P energy: -48.077
tors. eta vs tors. theta energy: -85.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1062.598071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.598071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.598071 (E_RNA)
where:
Base-Base interactions energy: -729.343
where: short stacking energy: -305.046
Base-Backbone interact. energy: -1.062
local terms energy: -332.192913
where:
bonds (distance) C4'-P energy: -75.108
bonds (distance) P-C4' energy: -59.994
flat angles C4'-P-C4' energy: -71.862
flat angles P-C4'-P energy: -41.674
tors. eta vs tors. theta energy: -83.555
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: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -992.230335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.230335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.230335 (E_RNA)
where:
Base-Base interactions energy: -685.581
where: short stacking energy: -287.035
Base-Backbone interact. energy: 0.476
local terms energy: -307.125196
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -77.341
flat angles C4'-P-C4' energy: -65.501
flat angles P-C4'-P energy: -42.469
tors. eta vs tors. theta energy: -70.858
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: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -939.509597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.509597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.509597 (E_RNA)
where:
Base-Base interactions energy: -630.587
where: short stacking energy: -275.417
Base-Backbone interact. energy: -1.204
local terms energy: -307.718357
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -64.434
flat angles C4'-P-C4' energy: -82.364
flat angles P-C4'-P energy: -37.686
tors. eta vs tors. theta energy: -70.195
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: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -506.048397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.048397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.048397 (E_RNA)
where:
Base-Base interactions energy: -293.147
where: short stacking energy: -140.061
Base-Backbone interact. energy: -0.059
local terms energy: -212.842168
where:
bonds (distance) C4'-P energy: -52.002
bonds (distance) P-C4' energy: -65.865
flat angles C4'-P-C4' energy: -50.621
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: -4.797
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: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1333.077380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.077380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.077380 (E_RNA)
where:
Base-Base interactions energy: -929.154
where: short stacking energy: -402.683
Base-Backbone interact. energy: -2.656
local terms energy: -401.267081
where:
bonds (distance) C4'-P energy: -85.792
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -88.962
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -116.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1303.401768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.401768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.401768 (E_RNA)
where:
Base-Base interactions energy: -922.751
where: short stacking energy: -419.590
Base-Backbone interact. energy: -2.737
local terms energy: -377.913710
where:
bonds (distance) C4'-P energy: -72.873
bonds (distance) P-C4' energy: -62.673
flat angles C4'-P-C4' energy: -81.457
flat angles P-C4'-P energy: -48.707
tors. eta vs tors. theta energy: -112.204
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: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1204.110151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.110151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.110151 (E_RNA)
where:
Base-Base interactions energy: -851.210
where: short stacking energy: -371.548
Base-Backbone interact. energy: -0.951
local terms energy: -351.948863
where:
bonds (distance) C4'-P energy: -53.521
bonds (distance) P-C4' energy: -69.450
flat angles C4'-P-C4' energy: -79.627
flat angles P-C4'-P energy: -44.437
tors. eta vs tors. theta energy: -104.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1211.652711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.652711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.652711 (E_RNA)
where:
Base-Base interactions energy: -873.178
where: short stacking energy: -330.696
Base-Backbone interact. energy: -1.350
local terms energy: -337.124858
where:
bonds (distance) C4'-P energy: -60.045
bonds (distance) P-C4' energy: -67.753
flat angles C4'-P-C4' energy: -75.717
flat angles P-C4'-P energy: -51.822
tors. eta vs tors. theta energy: -81.787
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: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1184.587456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.587456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.587456 (E_RNA)
where:
Base-Base interactions energy: -816.165
where: short stacking energy: -347.661
Base-Backbone interact. energy: -1.061
local terms energy: -367.360992
where:
bonds (distance) C4'-P energy: -69.582
bonds (distance) P-C4' energy: -72.741
flat angles C4'-P-C4' energy: -81.075
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -94.837
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: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1089.562072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.562072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.562072 (E_RNA)
where:
Base-Base interactions energy: -765.268
where: short stacking energy: -311.827
Base-Backbone interact. energy: -0.643
local terms energy: -323.650598
where:
bonds (distance) C4'-P energy: -54.960
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -70.516
flat angles P-C4'-P energy: -41.508
tors. eta vs tors. theta energy: -91.610
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: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1031.727191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.727191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.727191 (E_RNA)
where:
Base-Base interactions energy: -705.902
where: short stacking energy: -302.362
Base-Backbone interact. energy: -0.929
local terms energy: -324.896580
where:
bonds (distance) C4'-P energy: -65.747
bonds (distance) P-C4' energy: -57.472
flat angles C4'-P-C4' energy: -75.423
flat angles P-C4'-P energy: -45.025
tors. eta vs tors. theta energy: -81.231
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: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -949.138505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.138505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.138505 (E_RNA)
where:
Base-Base interactions energy: -630.164
where: short stacking energy: -258.759
Base-Backbone interact. energy: -0.870
local terms energy: -318.105126
where:
bonds (distance) C4'-P energy: -68.953
bonds (distance) P-C4' energy: -65.995
flat angles C4'-P-C4' energy: -77.390
flat angles P-C4'-P energy: -48.002
tors. eta vs tors. theta energy: -57.766
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: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -902.302905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.302905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.302905 (E_RNA)
where:
Base-Base interactions energy: -609.800
where: short stacking energy: -251.527
Base-Backbone interact. energy: 0.410
local terms energy: -292.913067
where:
bonds (distance) C4'-P energy: -48.042
bonds (distance) P-C4' energy: -72.397
flat angles C4'-P-C4' energy: -70.505
flat angles P-C4'-P energy: -41.249
tors. eta vs tors. theta energy: -60.720
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: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -524.593762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.593762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.593762 (E_RNA)
where:
Base-Base interactions energy: -302.110
where: short stacking energy: -163.245
Base-Backbone interact. energy: -1.259
local terms energy: -221.224464
where:
bonds (distance) C4'-P energy: -67.694
bonds (distance) P-C4' energy: -71.430
flat angles C4'-P-C4' energy: -45.556
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -16.668
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: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1341.611160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.611160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.611160 (E_RNA)
where:
Base-Base interactions energy: -922.646
where: short stacking energy: -400.936
Base-Backbone interact. energy: -1.086
local terms energy: -417.879119
where:
bonds (distance) C4'-P energy: -76.748
bonds (distance) P-C4' energy: -81.953
flat angles C4'-P-C4' energy: -82.992
flat angles P-C4'-P energy: -62.863
tors. eta vs tors. theta energy: -113.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1287.596498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.596498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.596498 (E_RNA)
where:
Base-Base interactions energy: -880.519
where: short stacking energy: -389.274
Base-Backbone interact. energy: -1.551
local terms energy: -405.526551
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -76.218
flat angles C4'-P-C4' energy: -89.631
flat angles P-C4'-P energy: -47.812
tors. eta vs tors. theta energy: -111.534
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: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1230.687713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.687713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.687713 (E_RNA)
where:
Base-Base interactions energy: -849.886
where: short stacking energy: -350.195
Base-Backbone interact. energy: 0.159
local terms energy: -380.960666
where:
bonds (distance) C4'-P energy: -68.965
bonds (distance) P-C4' energy: -71.241
flat angles C4'-P-C4' energy: -81.476
flat angles P-C4'-P energy: -59.945
tors. eta vs tors. theta energy: -99.334
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: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1211.871986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.871986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.871986 (E_RNA)
where:
Base-Base interactions energy: -871.568
where: short stacking energy: -366.139
Base-Backbone interact. energy: -0.180
local terms energy: -340.124607
where:
bonds (distance) C4'-P energy: -66.396
bonds (distance) P-C4' energy: -58.125
flat angles C4'-P-C4' energy: -68.725
flat angles P-C4'-P energy: -46.892
tors. eta vs tors. theta energy: -99.988
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: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1137.209660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.209660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.209660 (E_RNA)
where:
Base-Base interactions energy: -832.990
where: short stacking energy: -307.940
Base-Backbone interact. energy: -0.786
local terms energy: -303.433626
where:
bonds (distance) C4'-P energy: -66.102
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -71.519
flat angles P-C4'-P energy: -37.919
tors. eta vs tors. theta energy: -75.905
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: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1099.863341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.863341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.863341 (E_RNA)
where:
Base-Base interactions energy: -754.929
where: short stacking energy: -332.922
Base-Backbone interact. energy: -1.672
local terms energy: -343.262297
where:
bonds (distance) C4'-P energy: -59.820
bonds (distance) P-C4' energy: -74.025
flat angles C4'-P-C4' energy: -74.960
flat angles P-C4'-P energy: -46.840
tors. eta vs tors. theta energy: -87.618
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: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1065.900606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.900606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.900606 (E_RNA)
where:
Base-Base interactions energy: -720.302
where: short stacking energy: -289.237
Base-Backbone interact. energy: -0.948
local terms energy: -344.650702
where:
bonds (distance) C4'-P energy: -70.102
bonds (distance) P-C4' energy: -75.741
flat angles C4'-P-C4' energy: -73.497
flat angles P-C4'-P energy: -42.029
tors. eta vs tors. theta energy: -83.280
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: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -933.844698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.844698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.844698 (E_RNA)
where:
Base-Base interactions energy: -646.816
where: short stacking energy: -263.600
Base-Backbone interact. energy: 4.556
local terms energy: -291.584068
where:
bonds (distance) C4'-P energy: -70.147
bonds (distance) P-C4' energy: -67.135
flat angles C4'-P-C4' energy: -56.325
flat angles P-C4'-P energy: -38.768
tors. eta vs tors. theta energy: -59.209
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: 97
Temperature: 1.300000
Total energy: -859.505124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.505124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.505124 (E_RNA)
where:
Base-Base interactions energy: -581.598
where: short stacking energy: -236.527
Base-Backbone interact. energy: -0.827
local terms energy: -277.080027
where:
bonds (distance) C4'-P energy: -62.695
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -67.108
flat angles P-C4'-P energy: -46.581
tors. eta vs tors. theta energy: -53.569
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: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -503.794467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.794467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.794467 (E_RNA)
where:
Base-Base interactions energy: -308.382
where: short stacking energy: -147.753
Base-Backbone interact. energy: 3.227
local terms energy: -198.639557
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -61.324
flat angles C4'-P-C4' energy: -46.886
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -5.177
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: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1329.704539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.704539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.704539 (E_RNA)
where:
Base-Base interactions energy: -942.527
where: short stacking energy: -404.400
Base-Backbone interact. energy: -0.759
local terms energy: -386.418115
where:
bonds (distance) C4'-P energy: -77.689
bonds (distance) P-C4' energy: -57.343
flat angles C4'-P-C4' energy: -87.557
flat angles P-C4'-P energy: -53.569
tors. eta vs tors. theta energy: -110.261
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: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1272.614276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.614276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.614276 (E_RNA)
where:
Base-Base interactions energy: -866.474
where: short stacking energy: -379.767
Base-Backbone interact. energy: -1.960
local terms energy: -404.180545
where:
bonds (distance) C4'-P energy: -81.120
bonds (distance) P-C4' energy: -72.242
flat angles C4'-P-C4' energy: -81.701
flat angles P-C4'-P energy: -58.004
tors. eta vs tors. theta energy: -111.114
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: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1256.783114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.783114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.783114 (E_RNA)
where:
Base-Base interactions energy: -874.388
where: short stacking energy: -374.245
Base-Backbone interact. energy: -1.469
local terms energy: -380.926004
where:
bonds (distance) C4'-P energy: -78.336
bonds (distance) P-C4' energy: -70.833
flat angles C4'-P-C4' energy: -80.385
flat angles P-C4'-P energy: -49.008
tors. eta vs tors. theta energy: -102.364
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: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1210.391538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.391538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.391538 (E_RNA)
where:
Base-Base interactions energy: -852.040
where: short stacking energy: -366.223
Base-Backbone interact. energy: -1.024
local terms energy: -357.327440
where:
bonds (distance) C4'-P energy: -54.904
bonds (distance) P-C4' energy: -61.143
flat angles C4'-P-C4' energy: -87.582
flat angles P-C4'-P energy: -57.182
tors. eta vs tors. theta energy: -96.516
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: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1132.731304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.731304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.731304 (E_RNA)
where:
Base-Base interactions energy: -792.092
where: short stacking energy: -337.158
Base-Backbone interact. energy: -0.814
local terms energy: -339.825953
where:
bonds (distance) C4'-P energy: -65.803
bonds (distance) P-C4' energy: -64.516
flat angles C4'-P-C4' energy: -82.531
flat angles P-C4'-P energy: -47.082
tors. eta vs tors. theta energy: -79.894
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: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1137.403792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.403792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.403792 (E_RNA)
where:
Base-Base interactions energy: -829.486
where: short stacking energy: -311.375
Base-Backbone interact. energy: -1.002
local terms energy: -306.916264
where:
bonds (distance) C4'-P energy: -45.698
bonds (distance) P-C4' energy: -69.895
flat angles C4'-P-C4' energy: -73.128
flat angles P-C4'-P energy: -43.959
tors. eta vs tors. theta energy: -74.237
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: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1143.594294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.594294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.594294 (E_RNA)
where:
Base-Base interactions energy: -801.166
where: short stacking energy: -338.036
Base-Backbone interact. energy: -0.589
local terms energy: -341.838684
where:
bonds (distance) C4'-P energy: -58.058
bonds (distance) P-C4' energy: -67.208
flat angles C4'-P-C4' energy: -74.605
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -96.238
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -948.265086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.265086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.265086 (E_RNA)
where:
Base-Base interactions energy: -642.082
where: short stacking energy: -269.419
Base-Backbone interact. energy: -1.555
local terms energy: -304.627826
where:
bonds (distance) C4'-P energy: -57.493
bonds (distance) P-C4' energy: -68.672
flat angles C4'-P-C4' energy: -64.229
flat angles P-C4'-P energy: -41.340
tors. eta vs tors. theta energy: -72.894
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: 98
Temperature: 1.300000
Total energy: -824.970743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.970743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.970743 (E_RNA)
where:
Base-Base interactions energy: -565.209
where: short stacking energy: -247.991
Base-Backbone interact. energy: -0.211
local terms energy: -259.551350
where:
bonds (distance) C4'-P energy: -51.239
bonds (distance) P-C4' energy: -55.506
flat angles C4'-P-C4' energy: -63.126
flat angles P-C4'-P energy: -36.496
tors. eta vs tors. theta energy: -53.184
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: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -557.579802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.579802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.579802 (E_RNA)
where:
Base-Base interactions energy: -311.510
where: short stacking energy: -135.989
Base-Backbone interact. energy: 0.848
local terms energy: -246.917906
where:
bonds (distance) C4'-P energy: -55.869
bonds (distance) P-C4' energy: -75.261
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: -14.218
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: 99
Temperature: 0.900000
Total energy: -1321.998841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.998841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.998841 (E_RNA)
where:
Base-Base interactions energy: -924.402
where: short stacking energy: -396.840
Base-Backbone interact. energy: -0.610
local terms energy: -396.987047
where:
bonds (distance) C4'-P energy: -74.235
bonds (distance) P-C4' energy: -71.815
flat angles C4'-P-C4' energy: -81.516
flat angles P-C4'-P energy: -62.902
tors. eta vs tors. theta energy: -106.518
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1278.224717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.224717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.224717 (E_RNA)
where:
Base-Base interactions energy: -905.671
where: short stacking energy: -401.541
Base-Backbone interact. energy: -1.657
local terms energy: -370.896377
where:
bonds (distance) C4'-P energy: -65.368
bonds (distance) P-C4' energy: -68.934
flat angles C4'-P-C4' energy: -80.518
flat angles P-C4'-P energy: -46.273
tors. eta vs tors. theta energy: -109.803
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: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1249.763663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.763663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.763663 (E_RNA)
where:
Base-Base interactions energy: -887.211
where: short stacking energy: -364.572
Base-Backbone interact. energy: 1.332
local terms energy: -363.885137
where:
bonds (distance) C4'-P energy: -82.537
bonds (distance) P-C4' energy: -66.834
flat angles C4'-P-C4' energy: -71.897
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -96.615
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: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1182.198495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.198495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.198495 (E_RNA)
where:
Base-Base interactions energy: -827.543
where: short stacking energy: -339.236
Base-Backbone interact. energy: -2.702
local terms energy: -351.953686
where:
bonds (distance) C4'-P energy: -74.131
bonds (distance) P-C4' energy: -71.120
flat angles C4'-P-C4' energy: -81.582
flat angles P-C4'-P energy: -38.842
tors. eta vs tors. theta energy: -86.278
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: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1111.304239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.304239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.304239 (E_RNA)
where:
Base-Base interactions energy: -769.453
where: short stacking energy: -325.815
Base-Backbone interact. energy: 0.655
local terms energy: -342.506677
where:
bonds (distance) C4'-P energy: -61.038
bonds (distance) P-C4' energy: -71.930
flat angles C4'-P-C4' energy: -69.917
flat angles P-C4'-P energy: -46.783
tors. eta vs tors. theta energy: -92.838
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: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1152.444478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.444478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.444478 (E_RNA)
where:
Base-Base interactions energy: -812.436
where: short stacking energy: -344.269
Base-Backbone interact. energy: -1.896
local terms energy: -338.112480
where:
bonds (distance) C4'-P energy: -55.241
bonds (distance) P-C4' energy: -73.325
flat angles C4'-P-C4' energy: -66.368
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -90.890
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: 99
Temperature: 1.200000
Total energy: -1105.632668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.632668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.632668 (E_RNA)
where:
Base-Base interactions energy: -775.439
where: short stacking energy: -302.604
Base-Backbone interact. energy: -2.195
local terms energy: -327.998275
where:
bonds (distance) C4'-P energy: -60.458
bonds (distance) P-C4' energy: -55.732
flat angles C4'-P-C4' energy: -83.992
flat angles P-C4'-P energy: -46.782
tors. eta vs tors. theta energy: -81.035
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: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -927.439367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.439367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.439367 (E_RNA)
where:
Base-Base interactions energy: -620.552
where: short stacking energy: -268.549
Base-Backbone interact. energy: 2.991
local terms energy: -309.878351
where:
bonds (distance) C4'-P energy: -59.332
bonds (distance) P-C4' energy: -67.784
flat angles C4'-P-C4' energy: -71.729
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: -65.180
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: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -810.588053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.588053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.588053 (E_RNA)
where:
Base-Base interactions energy: -518.563
where: short stacking energy: -225.234
Base-Backbone interact. energy: -1.396
local terms energy: -290.629254
where:
bonds (distance) C4'-P energy: -70.780
bonds (distance) P-C4' energy: -57.446
flat angles C4'-P-C4' energy: -78.122
flat angles P-C4'-P energy: -33.419
tors. eta vs tors. theta energy: -50.862
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: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -542.589827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.589827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.589827 (E_RNA)
where:
Base-Base interactions energy: -325.937
where: short stacking energy: -153.052
Base-Backbone interact. energy: -3.656
local terms energy: -212.996825
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -63.061
flat angles C4'-P-C4' energy: -50.062
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -19.427
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: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1308.047216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.047216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.047216 (E_RNA)
where:
Base-Base interactions energy: -903.763
where: short stacking energy: -383.999
Base-Backbone interact. energy: 1.532
local terms energy: -405.816316
where:
bonds (distance) C4'-P energy: -76.281
bonds (distance) P-C4' energy: -80.373
flat angles C4'-P-C4' energy: -82.081
flat angles P-C4'-P energy: -60.682
tors. eta vs tors. theta energy: -106.399
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: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1299.353405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.353405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.353405 (E_RNA)
where:
Base-Base interactions energy: -912.279
where: short stacking energy: -400.429
Base-Backbone interact. energy: -2.703
local terms energy: -384.371938
where:
bonds (distance) C4'-P energy: -69.854
bonds (distance) P-C4' energy: -69.225
flat angles C4'-P-C4' energy: -77.855
flat angles P-C4'-P energy: -59.752
tors. eta vs tors. theta energy: -107.685
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: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1262.238996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.238996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.238996 (E_RNA)
where:
Base-Base interactions energy: -893.924
where: short stacking energy: -376.957
Base-Backbone interact. energy: -3.048
local terms energy: -365.267320
where:
bonds (distance) C4'-P energy: -59.735
bonds (distance) P-C4' energy: -72.400
flat angles C4'-P-C4' energy: -80.842
flat angles P-C4'-P energy: -51.185
tors. eta vs tors. theta energy: -101.105
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: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1190.282767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.282767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.282767 (E_RNA)
where:
Base-Base interactions energy: -843.224
where: short stacking energy: -341.589
Base-Backbone interact. energy: 0.644
local terms energy: -347.703060
where:
bonds (distance) C4'-P energy: -66.450
bonds (distance) P-C4' energy: -70.396
flat angles C4'-P-C4' energy: -74.099
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: -87.448
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: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1181.114493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.114493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.114493 (E_RNA)
where:
Base-Base interactions energy: -807.226
where: short stacking energy: -357.280
Base-Backbone interact. energy: -0.217
local terms energy: -373.671576
where:
bonds (distance) C4'-P energy: -74.825
bonds (distance) P-C4' energy: -66.954
flat angles C4'-P-C4' energy: -81.501
flat angles P-C4'-P energy: -50.855
tors. eta vs tors. theta energy: -99.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1124.116089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.116089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.116089 (E_RNA)
where:
Base-Base interactions energy: -771.927
where: short stacking energy: -351.821
Base-Backbone interact. energy: -1.248
local terms energy: -350.940955
where:
bonds (distance) C4'-P energy: -67.822
bonds (distance) P-C4' energy: -54.881
flat angles C4'-P-C4' energy: -67.668
flat angles P-C4'-P energy: -59.980
tors. eta vs tors. theta energy: -100.589
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: 100
Temperature: 1.200000
Total energy: -1048.800835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.800835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.800835 (E_RNA)
where:
Base-Base interactions energy: -728.547
where: short stacking energy: -308.126
Base-Backbone interact. energy: 0.667
local terms energy: -320.920978
where:
bonds (distance) C4'-P energy: -67.073
bonds (distance) P-C4' energy: -54.979
flat angles C4'-P-C4' energy: -69.055
flat angles P-C4'-P energy: -61.045
tors. eta vs tors. theta energy: -68.769
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: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -969.562303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.562303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.562303 (E_RNA)
where:
Base-Base interactions energy: -661.694
where: short stacking energy: -306.364
Base-Backbone interact. energy: -0.558
local terms energy: -307.310351
where:
bonds (distance) C4'-P energy: -64.176
bonds (distance) P-C4' energy: -63.083
flat angles C4'-P-C4' energy: -70.451
flat angles P-C4'-P energy: -34.593
tors. eta vs tors. theta energy: -75.007
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: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -816.470305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.470305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.470305 (E_RNA)
where:
Base-Base interactions energy: -554.164
where: short stacking energy: -234.581
Base-Backbone interact. energy: -0.993
local terms energy: -261.313124
where:
bonds (distance) C4'-P energy: -51.246
bonds (distance) P-C4' energy: -61.219
flat angles C4'-P-C4' energy: -68.753
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -50.916
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: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -555.671604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.671604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.671604 (E_RNA)
where:
Base-Base interactions energy: -329.661
where: short stacking energy: -164.022
Base-Backbone interact. energy: -1.624
local terms energy: -224.385850
where:
bonds (distance) C4'-P energy: -57.565
bonds (distance) P-C4' energy: -60.251
flat angles C4'-P-C4' energy: -41.598
flat angles P-C4'-P energy: -42.201
tors. eta vs tors. theta energy: -22.771
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: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1334.244333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.244333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.244333 (E_RNA)
where:
Base-Base interactions energy: -936.081
where: short stacking energy: -398.503
Base-Backbone interact. energy: 1.522
local terms energy: -399.684965
where:
bonds (distance) C4'-P energy: -76.623
bonds (distance) P-C4' energy: -73.117
flat angles C4'-P-C4' energy: -90.756
flat angles P-C4'-P energy: -53.580
tors. eta vs tors. theta energy: -105.609
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: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1300.117543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.117543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.117543 (E_RNA)
where:
Base-Base interactions energy: -910.793
where: short stacking energy: -406.325
Base-Backbone interact. energy: -1.696
local terms energy: -387.629112
where:
bonds (distance) C4'-P energy: -66.315
bonds (distance) P-C4' energy: -76.193
flat angles C4'-P-C4' energy: -79.849
flat angles P-C4'-P energy: -53.183
tors. eta vs tors. theta energy: -112.090
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: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1273.835062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.835062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.835062 (E_RNA)
where:
Base-Base interactions energy: -897.769
where: short stacking energy: -366.487
Base-Backbone interact. energy: -0.468
local terms energy: -375.598603
where:
bonds (distance) C4'-P energy: -70.070
bonds (distance) P-C4' energy: -67.894
flat angles C4'-P-C4' energy: -81.908
flat angles P-C4'-P energy: -59.983
tors. eta vs tors. theta energy: -95.743
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: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1197.567358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.567358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.567358 (E_RNA)
where:
Base-Base interactions energy: -832.698
where: short stacking energy: -351.384
Base-Backbone interact. energy: -3.260
local terms energy: -361.608901
where:
bonds (distance) C4'-P energy: -62.204
bonds (distance) P-C4' energy: -73.565
flat angles C4'-P-C4' energy: -80.753
flat angles P-C4'-P energy: -41.792
tors. eta vs tors. theta energy: -103.295
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: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1163.762278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.762278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.762278 (E_RNA)
where:
Base-Base interactions energy: -807.452
where: short stacking energy: -367.359
Base-Backbone interact. energy: 1.116
local terms energy: -357.426406
where:
bonds (distance) C4'-P energy: -61.303
bonds (distance) P-C4' energy: -71.440
flat angles C4'-P-C4' energy: -69.223
flat angles P-C4'-P energy: -49.373
tors. eta vs tors. theta energy: -106.087
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: 101
Temperature: 1.150000
Total energy: -1097.642783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.642783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.642783 (E_RNA)
where:
Base-Base interactions energy: -758.710
where: short stacking energy: -333.120
Base-Backbone interact. energy: -0.897
local terms energy: -338.035945
where:
bonds (distance) C4'-P energy: -59.202
bonds (distance) P-C4' energy: -61.928
flat angles C4'-P-C4' energy: -78.686
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: -88.164
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: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1095.842074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.842074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.842074 (E_RNA)
where:
Base-Base interactions energy: -766.603
where: short stacking energy: -318.838
Base-Backbone interact. energy: -0.581
local terms energy: -328.658509
where:
bonds (distance) C4'-P energy: -68.126
bonds (distance) P-C4' energy: -72.682
flat angles C4'-P-C4' energy: -63.763
flat angles P-C4'-P energy: -45.285
tors. eta vs tors. theta energy: -78.803
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -911.787420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.787420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.787420 (E_RNA)
where:
Base-Base interactions energy: -614.295
where: short stacking energy: -281.612
Base-Backbone interact. energy: -0.029
local terms energy: -297.463605
where:
bonds (distance) C4'-P energy: -58.204
bonds (distance) P-C4' energy: -62.450
flat angles C4'-P-C4' energy: -66.442
flat angles P-C4'-P energy: -47.709
tors. eta vs tors. theta energy: -62.659
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: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -892.459416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.459416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.459416 (E_RNA)
where:
Base-Base interactions energy: -625.385
where: short stacking energy: -281.843
Base-Backbone interact. energy: 0.483
local terms energy: -267.557654
where:
bonds (distance) C4'-P energy: -39.937
bonds (distance) P-C4' energy: -64.160
flat angles C4'-P-C4' energy: -67.973
flat angles P-C4'-P energy: -27.090
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: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -536.627521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.627521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.627521 (E_RNA)
where:
Base-Base interactions energy: -366.907
where: short stacking energy: -163.631
Base-Backbone interact. energy: 2.928
local terms energy: -172.649421
where:
bonds (distance) C4'-P energy: -59.808
bonds (distance) P-C4' energy: -37.415
flat angles C4'-P-C4' energy: -52.194
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: 1.205
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: 102
Temperature: 0.900000
Total energy: -1340.803291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.803291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.803291 (E_RNA)
where:
Base-Base interactions energy: -950.871
where: short stacking energy: -395.327
Base-Backbone interact. energy: -0.380
local terms energy: -389.552322
where:
bonds (distance) C4'-P energy: -71.035
bonds (distance) P-C4' energy: -72.171
flat angles C4'-P-C4' energy: -88.553
flat angles P-C4'-P energy: -50.150
tors. eta vs tors. theta energy: -107.644
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: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1300.303074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.303074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.303074 (E_RNA)
where:
Base-Base interactions energy: -918.753
where: short stacking energy: -390.094
Base-Backbone interact. energy: -1.491
local terms energy: -380.059680
where:
bonds (distance) C4'-P energy: -72.459
bonds (distance) P-C4' energy: -71.757
flat angles C4'-P-C4' energy: -79.981
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: -106.149
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: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1258.546522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.546522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.546522 (E_RNA)
where:
Base-Base interactions energy: -884.256
where: short stacking energy: -384.102
Base-Backbone interact. energy: -2.034
local terms energy: -372.256274
where:
bonds (distance) C4'-P energy: -66.235
bonds (distance) P-C4' energy: -75.108
flat angles C4'-P-C4' energy: -70.959
flat angles P-C4'-P energy: -51.459
tors. eta vs tors. theta energy: -108.495
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: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1193.646956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.646956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.646956 (E_RNA)
where:
Base-Base interactions energy: -843.137
where: short stacking energy: -346.959
Base-Backbone interact. energy: 2.066
local terms energy: -352.575929
where:
bonds (distance) C4'-P energy: -64.716
bonds (distance) P-C4' energy: -65.317
flat angles C4'-P-C4' energy: -76.847
flat angles P-C4'-P energy: -51.139
tors. eta vs tors. theta energy: -94.557
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: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1153.859733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.859733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.859733 (E_RNA)
where:
Base-Base interactions energy: -806.283
where: short stacking energy: -331.101
Base-Backbone interact. energy: -0.580
local terms energy: -346.996800
where:
bonds (distance) C4'-P energy: -61.591
bonds (distance) P-C4' energy: -62.816
flat angles C4'-P-C4' energy: -79.145
flat angles P-C4'-P energy: -51.148
tors. eta vs tors. theta energy: -92.297
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: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1105.572148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.572148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.572148 (E_RNA)
where:
Base-Base interactions energy: -765.255
where: short stacking energy: -338.075
Base-Backbone interact. energy: -0.508
local terms energy: -339.808951
where:
bonds (distance) C4'-P energy: -58.204
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -81.862
flat angles P-C4'-P energy: -48.760
tors. eta vs tors. theta energy: -90.941
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: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1052.751756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.751756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.751756 (E_RNA)
where:
Base-Base interactions energy: -755.890
where: short stacking energy: -322.787
Base-Backbone interact. energy: 1.988
local terms energy: -298.850318
where:
bonds (distance) C4'-P energy: -43.330
bonds (distance) P-C4' energy: -55.991
flat angles C4'-P-C4' energy: -71.256
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -80.450
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: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -924.058239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.058239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.058239 (E_RNA)
where:
Base-Base interactions energy: -624.394
where: short stacking energy: -277.283
Base-Backbone interact. energy: -1.629
local terms energy: -298.034597
where:
bonds (distance) C4'-P energy: -66.406
bonds (distance) P-C4' energy: -62.475
flat angles C4'-P-C4' energy: -70.161
flat angles P-C4'-P energy: -39.534
tors. eta vs tors. theta energy: -59.459
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: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -972.080225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.080225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.080225 (E_RNA)
where:
Base-Base interactions energy: -674.427
where: short stacking energy: -298.193
Base-Backbone interact. energy: -1.416
local terms energy: -296.237011
where:
bonds (distance) C4'-P energy: -63.426
bonds (distance) P-C4' energy: -67.277
flat angles C4'-P-C4' energy: -52.974
flat angles P-C4'-P energy: -52.794
tors. eta vs tors. theta energy: -59.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -580.133295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.133295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.133295 (E_RNA)
where:
Base-Base interactions energy: -355.995
where: short stacking energy: -165.694
Base-Backbone interact. energy: 4.745
local terms energy: -228.883335
where:
bonds (distance) C4'-P energy: -61.018
bonds (distance) P-C4' energy: -54.132
flat angles C4'-P-C4' energy: -59.133
flat angles P-C4'-P energy: -34.247
tors. eta vs tors. theta energy: -20.353
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: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1340.489613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.489613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.489613 (E_RNA)
where:
Base-Base interactions energy: -943.529
where: short stacking energy: -385.694
Base-Backbone interact. energy: -0.816
local terms energy: -396.144546
where:
bonds (distance) C4'-P energy: -70.527
bonds (distance) P-C4' energy: -72.704
flat angles C4'-P-C4' energy: -90.494
flat angles P-C4'-P energy: -57.801
tors. eta vs tors. theta energy: -104.619
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: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1300.786594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.786594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.786594 (E_RNA)
where:
Base-Base interactions energy: -905.226
where: short stacking energy: -387.805
Base-Backbone interact. energy: 0.519
local terms energy: -396.079469
where:
bonds (distance) C4'-P energy: -80.868
bonds (distance) P-C4' energy: -71.596
flat angles C4'-P-C4' energy: -73.461
flat angles P-C4'-P energy: -55.849
tors. eta vs tors. theta energy: -114.305
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: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1256.561686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.561686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.561686 (E_RNA)
where:
Base-Base interactions energy: -883.660
where: short stacking energy: -376.256
Base-Backbone interact. energy: -1.391
local terms energy: -371.510943
where:
bonds (distance) C4'-P energy: -71.441
bonds (distance) P-C4' energy: -70.850
flat angles C4'-P-C4' energy: -77.682
flat angles P-C4'-P energy: -46.865
tors. eta vs tors. theta energy: -104.672
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: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1193.536944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.536944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.536944 (E_RNA)
where:
Base-Base interactions energy: -842.226
where: short stacking energy: -330.973
Base-Backbone interact. energy: -1.921
local terms energy: -349.389973
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -69.993
flat angles C4'-P-C4' energy: -81.965
flat angles P-C4'-P energy: -37.604
tors. eta vs tors. theta energy: -90.684
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: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1194.432164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.432164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.432164 (E_RNA)
where:
Base-Base interactions energy: -849.863
where: short stacking energy: -363.303
Base-Backbone interact. energy: -0.191
local terms energy: -344.377323
where:
bonds (distance) C4'-P energy: -56.659
bonds (distance) P-C4' energy: -64.530
flat angles C4'-P-C4' energy: -80.711
flat angles P-C4'-P energy: -46.503
tors. eta vs tors. theta energy: -95.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1087.693704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.693704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.693704 (E_RNA)
where:
Base-Base interactions energy: -746.593
where: short stacking energy: -334.005
Base-Backbone interact. energy: -0.304
local terms energy: -340.796880
where:
bonds (distance) C4'-P energy: -66.748
bonds (distance) P-C4' energy: -64.271
flat angles C4'-P-C4' energy: -78.170
flat angles P-C4'-P energy: -45.804
tors. eta vs tors. theta energy: -85.804
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: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1029.663349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.663349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.663349 (E_RNA)
where:
Base-Base interactions energy: -701.972
where: short stacking energy: -311.059
Base-Backbone interact. energy: 2.779
local terms energy: -330.470825
where:
bonds (distance) C4'-P energy: -71.143
bonds (distance) P-C4' energy: -69.176
flat angles C4'-P-C4' energy: -77.006
flat angles P-C4'-P energy: -33.991
tors. eta vs tors. theta energy: -79.155
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: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -959.789123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.789123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.789123 (E_RNA)
where:
Base-Base interactions energy: -652.657
where: short stacking energy: -264.063
Base-Backbone interact. energy: 0.738
local terms energy: -307.870370
where:
bonds (distance) C4'-P energy: -66.104
bonds (distance) P-C4' energy: -55.259
flat angles C4'-P-C4' energy: -73.496
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: -62.124
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: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -908.127315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.127315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.127315 (E_RNA)
where:
Base-Base interactions energy: -616.549
where: short stacking energy: -273.130
Base-Backbone interact. energy: 1.323
local terms energy: -292.901275
where:
bonds (distance) C4'-P energy: -70.369
bonds (distance) P-C4' energy: -65.705
flat angles C4'-P-C4' energy: -62.158
flat angles P-C4'-P energy: -31.261
tors. eta vs tors. theta energy: -63.408
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: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -571.979707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.979707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.979707 (E_RNA)
where:
Base-Base interactions energy: -359.147
where: short stacking energy: -161.008
Base-Backbone interact. energy: -0.416
local terms energy: -212.416579
where:
bonds (distance) C4'-P energy: -54.181
bonds (distance) P-C4' energy: -60.604
flat angles C4'-P-C4' energy: -62.302
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -18.096
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: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1338.342137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.342137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.342137 (E_RNA)
where:
Base-Base interactions energy: -943.170
where: short stacking energy: -400.726
Base-Backbone interact. energy: 2.426
local terms energy: -397.597946
where:
bonds (distance) C4'-P energy: -70.504
bonds (distance) P-C4' energy: -71.312
flat angles C4'-P-C4' energy: -87.183
flat angles P-C4'-P energy: -62.058
tors. eta vs tors. theta energy: -106.541
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: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1276.694647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.694647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.694647 (E_RNA)
where:
Base-Base interactions energy: -888.009
where: short stacking energy: -394.799
Base-Backbone interact. energy: -1.371
local terms energy: -387.314518
where:
bonds (distance) C4'-P energy: -67.845
bonds (distance) P-C4' energy: -71.637
flat angles C4'-P-C4' energy: -85.546
flat angles P-C4'-P energy: -55.063
tors. eta vs tors. theta energy: -107.224
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: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1266.919676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.919676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.919676 (E_RNA)
where:
Base-Base interactions energy: -885.555
where: short stacking energy: -373.063
Base-Backbone interact. energy: -4.198
local terms energy: -377.166428
where:
bonds (distance) C4'-P energy: -76.042
bonds (distance) P-C4' energy: -76.758
flat angles C4'-P-C4' energy: -74.841
flat angles P-C4'-P energy: -49.630
tors. eta vs tors. theta energy: -99.895
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: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1210.189478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.189478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.189478 (E_RNA)
where:
Base-Base interactions energy: -847.151
where: short stacking energy: -341.501
Base-Backbone interact. energy: -3.570
local terms energy: -359.468066
where:
bonds (distance) C4'-P energy: -58.695
bonds (distance) P-C4' energy: -76.735
flat angles C4'-P-C4' energy: -78.951
flat angles P-C4'-P energy: -50.906
tors. eta vs tors. theta energy: -94.181
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: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1160.995105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.995105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.995105 (E_RNA)
where:
Base-Base interactions energy: -804.602
where: short stacking energy: -339.185
Base-Backbone interact. energy: -0.280
local terms energy: -356.112858
where:
bonds (distance) C4'-P energy: -73.039
bonds (distance) P-C4' energy: -64.280
flat angles C4'-P-C4' energy: -69.561
flat angles P-C4'-P energy: -56.482
tors. eta vs tors. theta energy: -92.751
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: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1118.150732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.150732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.150732 (E_RNA)
where:
Base-Base interactions energy: -780.897
where: short stacking energy: -345.347
Base-Backbone interact. energy: -1.276
local terms energy: -335.977940
where:
bonds (distance) C4'-P energy: -58.571
bonds (distance) P-C4' energy: -67.115
flat angles C4'-P-C4' energy: -75.139
flat angles P-C4'-P energy: -38.481
tors. eta vs tors. theta energy: -96.671
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: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1059.150801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.150801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.150801 (E_RNA)
where:
Base-Base interactions energy: -721.294
where: short stacking energy: -288.476
Base-Backbone interact. energy: -0.935
local terms energy: -336.921514
where:
bonds (distance) C4'-P energy: -61.703
bonds (distance) P-C4' energy: -68.576
flat angles C4'-P-C4' energy: -79.392
flat angles P-C4'-P energy: -50.929
tors. eta vs tors. theta energy: -76.321
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: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -937.423647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.423647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.423647 (E_RNA)
where:
Base-Base interactions energy: -636.387
where: short stacking energy: -256.384
Base-Backbone interact. energy: 3.382
local terms energy: -304.418193
where:
bonds (distance) C4'-P energy: -63.356
bonds (distance) P-C4' energy: -72.651
flat angles C4'-P-C4' energy: -64.632
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -65.655
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: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -892.359634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.359634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.359634 (E_RNA)
where:
Base-Base interactions energy: -601.905
where: short stacking energy: -248.173
Base-Backbone interact. energy: 2.209
local terms energy: -292.663856
where:
bonds (distance) C4'-P energy: -62.469
bonds (distance) P-C4' energy: -57.923
flat angles C4'-P-C4' energy: -71.822
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -63.610
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: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -615.995248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.995248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.995248 (E_RNA)
where:
Base-Base interactions energy: -385.478
where: short stacking energy: -168.257
Base-Backbone interact. energy: 5.567
local terms energy: -236.084404
where:
bonds (distance) C4'-P energy: -55.970
bonds (distance) P-C4' energy: -55.314
flat angles C4'-P-C4' energy: -60.750
flat angles P-C4'-P energy: -33.235
tors. eta vs tors. theta energy: -30.815
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: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1334.452380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.452380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.452380 (E_RNA)
where:
Base-Base interactions energy: -928.581
where: short stacking energy: -384.280
Base-Backbone interact. energy: -1.549
local terms energy: -404.322167
where:
bonds (distance) C4'-P energy: -72.770
bonds (distance) P-C4' energy: -79.920
flat angles C4'-P-C4' energy: -82.866
flat angles P-C4'-P energy: -63.899
tors. eta vs tors. theta energy: -104.868
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: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1251.091526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.091526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.091526 (E_RNA)
where:
Base-Base interactions energy: -864.287
where: short stacking energy: -381.948
Base-Backbone interact. energy: -2.240
local terms energy: -384.564559
where:
bonds (distance) C4'-P energy: -73.549
bonds (distance) P-C4' energy: -63.705
flat angles C4'-P-C4' energy: -88.850
flat angles P-C4'-P energy: -51.002
tors. eta vs tors. theta energy: -107.459
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: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1257.281894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.281894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.281894 (E_RNA)
where:
Base-Base interactions energy: -867.951
where: short stacking energy: -372.017
Base-Backbone interact. energy: 0.183
local terms energy: -389.514065
where:
bonds (distance) C4'-P energy: -75.129
bonds (distance) P-C4' energy: -70.107
flat angles C4'-P-C4' energy: -83.814
flat angles P-C4'-P energy: -52.101
tors. eta vs tors. theta energy: -108.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1151.354861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.354861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.354861 (E_RNA)
where:
Base-Base interactions energy: -783.287
where: short stacking energy: -340.327
Base-Backbone interact. energy: -1.906
local terms energy: -366.161797
where:
bonds (distance) C4'-P energy: -67.586
bonds (distance) P-C4' energy: -79.405
flat angles C4'-P-C4' energy: -82.534
flat angles P-C4'-P energy: -50.459
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: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1169.611745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.611745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.611745 (E_RNA)
where:
Base-Base interactions energy: -805.663
where: short stacking energy: -359.710
Base-Backbone interact. energy: -0.232
local terms energy: -363.716953
where:
bonds (distance) C4'-P energy: -62.420
bonds (distance) P-C4' energy: -64.639
flat angles C4'-P-C4' energy: -84.506
flat angles P-C4'-P energy: -48.668
tors. eta vs tors. theta energy: -103.483
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: 6, replica: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1072.947165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.947165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.947165 (E_RNA)
where:
Base-Base interactions energy: -716.897
where: short stacking energy: -301.119
Base-Backbone interact. energy: -3.619
local terms energy: -352.431180
where:
bonds (distance) C4'-P energy: -73.692
bonds (distance) P-C4' energy: -70.431
flat angles C4'-P-C4' energy: -72.004
flat angles P-C4'-P energy: -44.711
tors. eta vs tors. theta energy: -91.594
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: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1037.286956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.286956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.286956 (E_RNA)
where:
Base-Base interactions energy: -706.275
where: short stacking energy: -309.377
Base-Backbone interact. energy: -3.192
local terms energy: -327.820336
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -70.333
flat angles C4'-P-C4' energy: -65.542
flat angles P-C4'-P energy: -51.942
tors. eta vs tors. theta energy: -76.526
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: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -905.849244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.849244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.849244 (E_RNA)
where:
Base-Base interactions energy: -627.063
where: short stacking energy: -270.306
Base-Backbone interact. energy: 2.978
local terms energy: -281.764264
where:
bonds (distance) C4'-P energy: -56.490
bonds (distance) P-C4' energy: -78.824
flat angles C4'-P-C4' energy: -52.218
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -63.749
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: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -906.924304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.924304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.924304 (E_RNA)
where:
Base-Base interactions energy: -616.429
where: short stacking energy: -263.230
Base-Backbone interact. energy: 2.302
local terms energy: -292.796845
where:
bonds (distance) C4'-P energy: -65.625
bonds (distance) P-C4' energy: -71.175
flat angles C4'-P-C4' energy: -71.126
flat angles P-C4'-P energy: -31.405
tors. eta vs tors. theta energy: -53.465
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: 105
Temperature: 1.350000
Total energy: -609.296720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.296720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.296720 (E_RNA)
where:
Base-Base interactions energy: -380.669
where: short stacking energy: -168.811
Base-Backbone interact. energy: -0.586
local terms energy: -228.041853
where:
bonds (distance) C4'-P energy: -52.529
bonds (distance) P-C4' energy: -60.329
flat angles C4'-P-C4' energy: -61.376
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -20.978
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: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1380.450884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.450884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.450884 (E_RNA)
where:
Base-Base interactions energy: -983.999
where: short stacking energy: -408.454
Base-Backbone interact. energy: -0.719
local terms energy: -395.733143
where:
bonds (distance) C4'-P energy: -76.742
bonds (distance) P-C4' energy: -67.894
flat angles C4'-P-C4' energy: -82.857
flat angles P-C4'-P energy: -57.800
tors. eta vs tors. theta energy: -110.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1270.366506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.366506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.366506 (E_RNA)
where:
Base-Base interactions energy: -872.835
where: short stacking energy: -382.520
Base-Backbone interact. energy: -0.754
local terms energy: -396.776936
where:
bonds (distance) C4'-P energy: -71.973
bonds (distance) P-C4' energy: -65.941
flat angles C4'-P-C4' energy: -80.899
flat angles P-C4'-P energy: -66.212
tors. eta vs tors. theta energy: -111.752
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: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1230.795386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.795386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.795386 (E_RNA)
where:
Base-Base interactions energy: -883.140
where: short stacking energy: -380.191
Base-Backbone interact. energy: -4.350
local terms energy: -343.305258
where:
bonds (distance) C4'-P energy: -60.474
bonds (distance) P-C4' energy: -67.521
flat angles C4'-P-C4' energy: -72.393
flat angles P-C4'-P energy: -50.552
tors. eta vs tors. theta energy: -92.366
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: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1162.973478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.973478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.973478 (E_RNA)
where:
Base-Base interactions energy: -798.305
where: short stacking energy: -346.008
Base-Backbone interact. energy: -1.366
local terms energy: -363.301931
where:
bonds (distance) C4'-P energy: -68.593
bonds (distance) P-C4' energy: -60.207
flat angles C4'-P-C4' energy: -79.415
flat angles P-C4'-P energy: -59.752
tors. eta vs tors. theta energy: -95.334
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: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1159.472261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.472261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.472261 (E_RNA)
where:
Base-Base interactions energy: -794.941
where: short stacking energy: -338.326
Base-Backbone interact. energy: -0.983
local terms energy: -363.549087
where:
bonds (distance) C4'-P energy: -71.794
bonds (distance) P-C4' energy: -63.090
flat angles C4'-P-C4' energy: -83.228
flat angles P-C4'-P energy: -45.837
tors. eta vs tors. theta energy: -99.599
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: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1121.047420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.047420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.047420 (E_RNA)
where:
Base-Base interactions energy: -784.016
where: short stacking energy: -355.702
Base-Backbone interact. energy: -0.729
local terms energy: -336.302016
where:
bonds (distance) C4'-P energy: -46.924
bonds (distance) P-C4' energy: -77.564
flat angles C4'-P-C4' energy: -79.381
flat angles P-C4'-P energy: -47.882
tors. eta vs tors. theta energy: -84.550
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: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1042.141049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.141049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.141049 (E_RNA)
where:
Base-Base interactions energy: -720.915
where: short stacking energy: -291.007
Base-Backbone interact. energy: -2.205
local terms energy: -319.021750
where:
bonds (distance) C4'-P energy: -61.130
bonds (distance) P-C4' energy: -70.375
flat angles C4'-P-C4' energy: -67.781
flat angles P-C4'-P energy: -38.945
tors. eta vs tors. theta energy: -80.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -909.274623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.274623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.274623 (E_RNA)
where:
Base-Base interactions energy: -590.947
where: short stacking energy: -275.754
Base-Backbone interact. energy: 3.723
local terms energy: -322.050547
where:
bonds (distance) C4'-P energy: -75.665
bonds (distance) P-C4' energy: -64.893
flat angles C4'-P-C4' energy: -67.544
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -73.083
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: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -912.807631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.807631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.807631 (E_RNA)
where:
Base-Base interactions energy: -643.708
where: short stacking energy: -262.980
Base-Backbone interact. energy: -1.400
local terms energy: -267.700119
where:
bonds (distance) C4'-P energy: -50.260
bonds (distance) P-C4' energy: -48.018
flat angles C4'-P-C4' energy: -67.918
flat angles P-C4'-P energy: -48.738
tors. eta vs tors. theta energy: -52.767
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: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -631.733440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.733440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.733440 (E_RNA)
where:
Base-Base interactions energy: -385.968
where: short stacking energy: -184.927
Base-Backbone interact. energy: 1.080
local terms energy: -246.845487
where:
bonds (distance) C4'-P energy: -60.076
bonds (distance) P-C4' energy: -54.158
flat angles C4'-P-C4' energy: -57.446
flat angles P-C4'-P energy: -44.063
tors. eta vs tors. theta energy: -31.102
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: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1361.232078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.232078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.232078 (E_RNA)
where:
Base-Base interactions energy: -951.371
where: short stacking energy: -398.687
Base-Backbone interact. energy: -2.744
local terms energy: -407.116277
where:
bonds (distance) C4'-P energy: -74.280
bonds (distance) P-C4' energy: -75.515
flat angles C4'-P-C4' energy: -90.290
flat angles P-C4'-P energy: -59.017
tors. eta vs tors. theta energy: -108.015
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: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1270.641612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.641612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.641612 (E_RNA)
where:
Base-Base interactions energy: -868.375
where: short stacking energy: -376.392
Base-Backbone interact. energy: -1.146
local terms energy: -401.120675
where:
bonds (distance) C4'-P energy: -71.013
bonds (distance) P-C4' energy: -81.484
flat angles C4'-P-C4' energy: -80.484
flat angles P-C4'-P energy: -57.535
tors. eta vs tors. theta energy: -110.605
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: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1261.040316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.040316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.040316 (E_RNA)
where:
Base-Base interactions energy: -899.256
where: short stacking energy: -364.354
Base-Backbone interact. energy: -1.784
local terms energy: -360.000401
where:
bonds (distance) C4'-P energy: -68.724
bonds (distance) P-C4' energy: -70.421
flat angles C4'-P-C4' energy: -79.116
flat angles P-C4'-P energy: -49.870
tors. eta vs tors. theta energy: -91.869
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: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1192.849743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.849743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.849743 (E_RNA)
where:
Base-Base interactions energy: -810.215
where: short stacking energy: -359.028
Base-Backbone interact. energy: -0.586
local terms energy: -382.048420
where:
bonds (distance) C4'-P energy: -61.267
bonds (distance) P-C4' energy: -76.094
flat angles C4'-P-C4' energy: -82.421
flat angles P-C4'-P energy: -55.639
tors. eta vs tors. theta energy: -106.628
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: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1136.414458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.414458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.414458 (E_RNA)
where:
Base-Base interactions energy: -800.484
where: short stacking energy: -343.548
Base-Backbone interact. energy: 0.273
local terms energy: -336.204317
where:
bonds (distance) C4'-P energy: -62.648
bonds (distance) P-C4' energy: -68.921
flat angles C4'-P-C4' energy: -80.459
flat angles P-C4'-P energy: -29.965
tors. eta vs tors. theta energy: -94.211
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: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1109.020797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.020797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.020797 (E_RNA)
where:
Base-Base interactions energy: -771.576
where: short stacking energy: -335.360
Base-Backbone interact. energy: 1.289
local terms energy: -338.733367
where:
bonds (distance) C4'-P energy: -54.597
bonds (distance) P-C4' energy: -66.402
flat angles C4'-P-C4' energy: -76.715
flat angles P-C4'-P energy: -59.087
tors. eta vs tors. theta energy: -81.933
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: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1077.897202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.897202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.897202 (E_RNA)
where:
Base-Base interactions energy: -762.737
where: short stacking energy: -328.625
Base-Backbone interact. energy: -1.829
local terms energy: -313.331089
where:
bonds (distance) C4'-P energy: -68.757
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -61.251
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: -87.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -872.066415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.066415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.066415 (E_RNA)
where:
Base-Base interactions energy: -591.921
where: short stacking energy: -274.679
Base-Backbone interact. energy: -1.093
local terms energy: -279.052937
where:
bonds (distance) C4'-P energy: -53.142
bonds (distance) P-C4' energy: -64.610
flat angles C4'-P-C4' energy: -58.094
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: -66.643
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: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -922.866148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.866148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.866148 (E_RNA)
where:
Base-Base interactions energy: -639.515
where: short stacking energy: -258.417
Base-Backbone interact. energy: -0.571
local terms energy: -282.780338
where:
bonds (distance) C4'-P energy: -57.558
bonds (distance) P-C4' energy: -65.835
flat angles C4'-P-C4' energy: -63.154
flat angles P-C4'-P energy: -39.337
tors. eta vs tors. theta energy: -56.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -606.096876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.096876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.096876 (E_RNA)
where:
Base-Base interactions energy: -394.605
where: short stacking energy: -168.319
Base-Backbone interact. energy: 2.852
local terms energy: -214.344035
where:
bonds (distance) C4'-P energy: -62.588
bonds (distance) P-C4' energy: -52.117
flat angles C4'-P-C4' energy: -59.825
flat angles P-C4'-P energy: -31.639
tors. eta vs tors. theta energy: -8.175
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: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1373.577638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.577638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.577638 (E_RNA)
where:
Base-Base interactions energy: -965.926
where: short stacking energy: -402.462
Base-Backbone interact. energy: -1.069
local terms energy: -406.582906
where:
bonds (distance) C4'-P energy: -74.415
bonds (distance) P-C4' energy: -76.388
flat angles C4'-P-C4' energy: -91.766
flat angles P-C4'-P energy: -52.774
tors. eta vs tors. theta energy: -111.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1291.450623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.450623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.450623 (E_RNA)
where:
Base-Base interactions energy: -899.352
where: short stacking energy: -379.007
Base-Backbone interact. energy: 0.234
local terms energy: -392.333218
where:
bonds (distance) C4'-P energy: -77.371
bonds (distance) P-C4' energy: -79.445
flat angles C4'-P-C4' energy: -79.357
flat angles P-C4'-P energy: -53.599
tors. eta vs tors. theta energy: -102.560
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: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1267.443588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.443588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.443588 (E_RNA)
where:
Base-Base interactions energy: -891.688
where: short stacking energy: -373.230
Base-Backbone interact. energy: -1.204
local terms energy: -374.551605
where:
bonds (distance) C4'-P energy: -63.858
bonds (distance) P-C4' energy: -68.726
flat angles C4'-P-C4' energy: -83.498
flat angles P-C4'-P energy: -54.224
tors. eta vs tors. theta energy: -104.245
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: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1176.795617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.795617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.795617 (E_RNA)
where:
Base-Base interactions energy: -826.183
where: short stacking energy: -339.411
Base-Backbone interact. energy: -0.516
local terms energy: -350.097138
where:
bonds (distance) C4'-P energy: -67.225
bonds (distance) P-C4' energy: -62.411
flat angles C4'-P-C4' energy: -79.556
flat angles P-C4'-P energy: -52.328
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: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1171.291806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.291806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.291806 (E_RNA)
where:
Base-Base interactions energy: -821.416
where: short stacking energy: -362.288
Base-Backbone interact. energy: -0.778
local terms energy: -349.097719
where:
bonds (distance) C4'-P energy: -57.914
bonds (distance) P-C4' energy: -67.543
flat angles C4'-P-C4' energy: -75.525
flat angles P-C4'-P energy: -48.634
tors. eta vs tors. theta energy: -99.482
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: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1070.111182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.111182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.111182 (E_RNA)
where:
Base-Base interactions energy: -731.148
where: short stacking energy: -315.765
Base-Backbone interact. energy: -1.002
local terms energy: -337.961665
where:
bonds (distance) C4'-P energy: -70.721
bonds (distance) P-C4' energy: -60.251
flat angles C4'-P-C4' energy: -72.986
flat angles P-C4'-P energy: -44.202
tors. eta vs tors. theta energy: -89.802
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: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1066.814252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.814252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.814252 (E_RNA)
where:
Base-Base interactions energy: -745.898
where: short stacking energy: -298.995
Base-Backbone interact. energy: 0.414
local terms energy: -321.330015
where:
bonds (distance) C4'-P energy: -54.723
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -70.661
flat angles P-C4'-P energy: -48.111
tors. eta vs tors. theta energy: -80.640
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: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -883.515380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.515380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.515380 (E_RNA)
where:
Base-Base interactions energy: -577.211
where: short stacking energy: -279.150
Base-Backbone interact. energy: -1.557
local terms energy: -304.746733
where:
bonds (distance) C4'-P energy: -58.893
bonds (distance) P-C4' energy: -78.823
flat angles C4'-P-C4' energy: -65.107
flat angles P-C4'-P energy: -47.798
tors. eta vs tors. theta energy: -54.126
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: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -935.635142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.635142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.635142 (E_RNA)
where:
Base-Base interactions energy: -641.744
where: short stacking energy: -260.360
Base-Backbone interact. energy: 0.352
local terms energy: -294.243346
where:
bonds (distance) C4'-P energy: -63.055
bonds (distance) P-C4' energy: -66.059
flat angles C4'-P-C4' energy: -59.614
flat angles P-C4'-P energy: -41.682
tors. eta vs tors. theta energy: -63.833
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: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -597.362264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.362264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.362264 (E_RNA)
where:
Base-Base interactions energy: -372.119
where: short stacking energy: -174.311
Base-Backbone interact. energy: 0.156
local terms energy: -225.399151
where:
bonds (distance) C4'-P energy: -47.528
bonds (distance) P-C4' energy: -65.294
flat angles C4'-P-C4' energy: -52.415
flat angles P-C4'-P energy: -39.418
tors. eta vs tors. theta energy: -20.744
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: 109
Temperature: 0.900000
Total energy: -1343.361703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.361703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.361703 (E_RNA)
where:
Base-Base interactions energy: -942.760
where: short stacking energy: -386.046
Base-Backbone interact. energy: 0.278
local terms energy: -400.879292
where:
bonds (distance) C4'-P energy: -76.410
bonds (distance) P-C4' energy: -76.937
flat angles C4'-P-C4' energy: -76.639
flat angles P-C4'-P energy: -66.361
tors. eta vs tors. theta energy: -104.533
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: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1285.945388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.945388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.945388 (E_RNA)
where:
Base-Base interactions energy: -892.028
where: short stacking energy: -399.602
Base-Backbone interact. energy: -0.918
local terms energy: -393.000337
where:
bonds (distance) C4'-P energy: -69.442
bonds (distance) P-C4' energy: -79.934
flat angles C4'-P-C4' energy: -77.312
flat angles P-C4'-P energy: -51.362
tors. eta vs tors. theta energy: -114.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1281.212552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.212552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.212552 (E_RNA)
where:
Base-Base interactions energy: -898.094
where: short stacking energy: -393.894
Base-Backbone interact. energy: 0.490
local terms energy: -383.608500
where:
bonds (distance) C4'-P energy: -66.860
bonds (distance) P-C4' energy: -68.239
flat angles C4'-P-C4' energy: -74.928
flat angles P-C4'-P energy: -64.591
tors. eta vs tors. theta energy: -108.991
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: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1174.171875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.171875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.171875 (E_RNA)
where:
Base-Base interactions energy: -816.050
where: short stacking energy: -343.450
Base-Backbone interact. energy: -1.535
local terms energy: -356.586606
where:
bonds (distance) C4'-P energy: -71.385
bonds (distance) P-C4' energy: -64.652
flat angles C4'-P-C4' energy: -80.521
flat angles P-C4'-P energy: -43.837
tors. eta vs tors. theta energy: -96.192
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: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1126.299766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.299766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.299766 (E_RNA)
where:
Base-Base interactions energy: -775.935
where: short stacking energy: -333.867
Base-Backbone interact. energy: -0.223
local terms energy: -350.141618
where:
bonds (distance) C4'-P energy: -63.303
bonds (distance) P-C4' energy: -64.434
flat angles C4'-P-C4' energy: -86.798
flat angles P-C4'-P energy: -45.829
tors. eta vs tors. theta energy: -89.777
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: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1108.985253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.985253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.985253 (E_RNA)
where:
Base-Base interactions energy: -772.221
where: short stacking energy: -335.899
Base-Backbone interact. energy: 0.053
local terms energy: -336.817657
where:
bonds (distance) C4'-P energy: -61.067
bonds (distance) P-C4' energy: -64.435
flat angles C4'-P-C4' energy: -71.036
flat angles P-C4'-P energy: -45.788
tors. eta vs tors. theta energy: -94.492
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: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1009.358287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.358287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.358287 (E_RNA)
where:
Base-Base interactions energy: -697.820
where: short stacking energy: -281.258
Base-Backbone interact. energy: -1.109
local terms energy: -310.429814
where:
bonds (distance) C4'-P energy: -68.960
bonds (distance) P-C4' energy: -72.135
flat angles C4'-P-C4' energy: -61.776
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -62.456
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: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1039.402605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.402605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.402605 (E_RNA)
where:
Base-Base interactions energy: -721.544
where: short stacking energy: -295.664
Base-Backbone interact. energy: -0.289
local terms energy: -317.569771
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -60.671
flat angles C4'-P-C4' energy: -70.776
flat angles P-C4'-P energy: -43.948
tors. eta vs tors. theta energy: -76.177
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: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -864.977070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.977070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.977070 (E_RNA)
where:
Base-Base interactions energy: -595.449
where: short stacking energy: -240.911
Base-Backbone interact. energy: -2.169
local terms energy: -267.358582
where:
bonds (distance) C4'-P energy: -51.304
bonds (distance) P-C4' energy: -60.019
flat angles C4'-P-C4' energy: -75.087
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: -52.977
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: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -619.991156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.991156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.991156 (E_RNA)
where:
Base-Base interactions energy: -372.156
where: short stacking energy: -179.397
Base-Backbone interact. energy: -0.701
local terms energy: -247.133857
where:
bonds (distance) C4'-P energy: -67.755
bonds (distance) P-C4' energy: -65.120
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -31.115
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: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1365.633081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.633081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.633081 (E_RNA)
where:
Base-Base interactions energy: -956.264
where: short stacking energy: -398.224
Base-Backbone interact. energy: -0.791
local terms energy: -408.578056
where:
bonds (distance) C4'-P energy: -73.268
bonds (distance) P-C4' energy: -80.258
flat angles C4'-P-C4' energy: -83.181
flat angles P-C4'-P energy: -57.286
tors. eta vs tors. theta energy: -114.585
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: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1271.468567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.468567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.468567 (E_RNA)
where:
Base-Base interactions energy: -866.894
where: short stacking energy: -398.344
Base-Backbone interact. energy: -4.555
local terms energy: -400.019264
where:
bonds (distance) C4'-P energy: -76.115
bonds (distance) P-C4' energy: -78.420
flat angles C4'-P-C4' energy: -94.037
flat angles P-C4'-P energy: -42.951
tors. eta vs tors. theta energy: -108.495
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: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1261.440598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.440598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.440598 (E_RNA)
where:
Base-Base interactions energy: -915.275
where: short stacking energy: -373.244
Base-Backbone interact. energy: -1.278
local terms energy: -344.887534
where:
bonds (distance) C4'-P energy: -59.656
bonds (distance) P-C4' energy: -58.753
flat angles C4'-P-C4' energy: -74.877
flat angles P-C4'-P energy: -54.718
tors. eta vs tors. theta energy: -96.884
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: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1171.501938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.501938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.501938 (E_RNA)
where:
Base-Base interactions energy: -808.766
where: short stacking energy: -328.594
Base-Backbone interact. energy: -2.328
local terms energy: -360.408134
where:
bonds (distance) C4'-P energy: -66.078
bonds (distance) P-C4' energy: -64.026
flat angles C4'-P-C4' energy: -81.763
flat angles P-C4'-P energy: -58.916
tors. eta vs tors. theta energy: -89.625
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: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1168.551929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.551929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.551929 (E_RNA)
where:
Base-Base interactions energy: -809.334
where: short stacking energy: -347.138
Base-Backbone interact. energy: -2.116
local terms energy: -357.101632
where:
bonds (distance) C4'-P energy: -63.820
bonds (distance) P-C4' energy: -59.451
flat angles C4'-P-C4' energy: -82.350
flat angles P-C4'-P energy: -52.334
tors. eta vs tors. theta energy: -99.147
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: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1075.746354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.746354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.746354 (E_RNA)
where:
Base-Base interactions energy: -741.701
where: short stacking energy: -318.353
Base-Backbone interact. energy: 0.964
local terms energy: -335.009822
where:
bonds (distance) C4'-P energy: -70.998
bonds (distance) P-C4' energy: -61.268
flat angles C4'-P-C4' energy: -77.343
flat angles P-C4'-P energy: -45.371
tors. eta vs tors. theta energy: -80.030
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: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1123.832034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.832034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.832034 (E_RNA)
where:
Base-Base interactions energy: -814.226
where: short stacking energy: -342.218
Base-Backbone interact. energy: 0.724
local terms energy: -310.329656
where:
bonds (distance) C4'-P energy: -61.067
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -75.343
flat angles P-C4'-P energy: -31.774
tors. eta vs tors. theta energy: -84.510
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: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1008.673616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.673616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.673616 (E_RNA)
where:
Base-Base interactions energy: -677.867
where: short stacking energy: -283.190
Base-Backbone interact. energy: -2.592
local terms energy: -328.214744
where:
bonds (distance) C4'-P energy: -65.425
bonds (distance) P-C4' energy: -63.592
flat angles C4'-P-C4' energy: -72.058
flat angles P-C4'-P energy: -52.766
tors. eta vs tors. theta energy: -74.374
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: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -853.020711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.020711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.020711 (E_RNA)
where:
Base-Base interactions energy: -581.929
where: short stacking energy: -245.442
Base-Backbone interact. energy: -0.318
local terms energy: -270.773998
where:
bonds (distance) C4'-P energy: -58.506
bonds (distance) P-C4' energy: -63.378
flat angles C4'-P-C4' energy: -55.546
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -59.064
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: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -659.038675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.038675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.038675 (E_RNA)
where:
Base-Base interactions energy: -420.837
where: short stacking energy: -200.082
Base-Backbone interact. energy: -0.114
local terms energy: -238.088137
where:
bonds (distance) C4'-P energy: -67.157
bonds (distance) P-C4' energy: -54.286
flat angles C4'-P-C4' energy: -56.669
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -36.070
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: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1365.101222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.101222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.101222 (E_RNA)
where:
Base-Base interactions energy: -954.123
where: short stacking energy: -403.425
Base-Backbone interact. energy: -0.070
local terms energy: -410.908738
where:
bonds (distance) C4'-P energy: -69.756
bonds (distance) P-C4' energy: -79.004
flat angles C4'-P-C4' energy: -85.296
flat angles P-C4'-P energy: -62.517
tors. eta vs tors. theta energy: -114.336
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: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1296.482345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.482345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.482345 (E_RNA)
where:
Base-Base interactions energy: -903.868
where: short stacking energy: -400.997
Base-Backbone interact. energy: 0.573
local terms energy: -393.188045
where:
bonds (distance) C4'-P energy: -74.103
bonds (distance) P-C4' energy: -71.912
flat angles C4'-P-C4' energy: -82.347
flat angles P-C4'-P energy: -47.649
tors. eta vs tors. theta energy: -117.177
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: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1253.729675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.729675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.729675 (E_RNA)
where:
Base-Base interactions energy: -877.745
where: short stacking energy: -369.088
Base-Backbone interact. energy: 0.149
local terms energy: -376.133894
where:
bonds (distance) C4'-P energy: -70.806
bonds (distance) P-C4' energy: -66.468
flat angles C4'-P-C4' energy: -83.158
flat angles P-C4'-P energy: -53.727
tors. eta vs tors. theta energy: -101.975
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: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1209.260512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.260512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.260512 (E_RNA)
where:
Base-Base interactions energy: -835.211
where: short stacking energy: -357.462
Base-Backbone interact. energy: 1.118
local terms energy: -375.167700
where:
bonds (distance) C4'-P energy: -69.248
bonds (distance) P-C4' energy: -76.574
flat angles C4'-P-C4' energy: -85.047
flat angles P-C4'-P energy: -46.556
tors. eta vs tors. theta energy: -97.742
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: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1150.720188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.720188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.720188 (E_RNA)
where:
Base-Base interactions energy: -798.884
where: short stacking energy: -337.743
Base-Backbone interact. energy: -0.667
local terms energy: -351.169105
where:
bonds (distance) C4'-P energy: -68.775
bonds (distance) P-C4' energy: -71.784
flat angles C4'-P-C4' energy: -71.177
flat angles P-C4'-P energy: -48.369
tors. eta vs tors. theta energy: -91.064
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: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1155.697032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.697032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.697032 (E_RNA)
where:
Base-Base interactions energy: -811.870
where: short stacking energy: -331.943
Base-Backbone interact. energy: 2.180
local terms energy: -346.006816
where:
bonds (distance) C4'-P energy: -54.125
bonds (distance) P-C4' energy: -67.039
flat angles C4'-P-C4' energy: -73.329
flat angles P-C4'-P energy: -56.249
tors. eta vs tors. theta energy: -95.265
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: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1075.574781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.574781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.574781 (E_RNA)
where:
Base-Base interactions energy: -738.503
where: short stacking energy: -314.281
Base-Backbone interact. energy: -0.571
local terms energy: -336.500187
where:
bonds (distance) C4'-P energy: -69.163
bonds (distance) P-C4' energy: -77.242
flat angles C4'-P-C4' energy: -76.194
flat angles P-C4'-P energy: -34.525
tors. eta vs tors. theta energy: -79.376
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: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1017.474108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.474108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.474108 (E_RNA)
where:
Base-Base interactions energy: -698.133
where: short stacking energy: -300.448
Base-Backbone interact. energy: 3.382
local terms energy: -322.723600
where:
bonds (distance) C4'-P energy: -63.083
bonds (distance) P-C4' energy: -65.846
flat angles C4'-P-C4' energy: -73.271
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -79.632
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: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -846.186427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.186427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.186427 (E_RNA)
where:
Base-Base interactions energy: -567.615
where: short stacking energy: -235.047
Base-Backbone interact. energy: 3.250
local terms energy: -281.821532
where:
bonds (distance) C4'-P energy: -61.510
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -73.242
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -52.579
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: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -636.219502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.219502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.219502 (E_RNA)
where:
Base-Base interactions energy: -399.931
where: short stacking energy: -181.508
Base-Backbone interact. energy: 1.618
local terms energy: -237.906476
where:
bonds (distance) C4'-P energy: -46.329
bonds (distance) P-C4' energy: -65.581
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -42.839
tors. eta vs tors. theta energy: -31.004
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: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1366.555872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.555872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.555872 (E_RNA)
where:
Base-Base interactions energy: -953.436
where: short stacking energy: -419.018
Base-Backbone interact. energy: 0.489
local terms energy: -413.608774
where:
bonds (distance) C4'-P energy: -84.927
bonds (distance) P-C4' energy: -70.844
flat angles C4'-P-C4' energy: -82.110
flat angles P-C4'-P energy: -61.122
tors. eta vs tors. theta energy: -114.606
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: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1311.717029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.717029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.717029 (E_RNA)
where:
Base-Base interactions energy: -920.856
where: short stacking energy: -403.196
Base-Backbone interact. energy: -1.690
local terms energy: -389.170895
where:
bonds (distance) C4'-P energy: -76.560
bonds (distance) P-C4' energy: -67.250
flat angles C4'-P-C4' energy: -85.437
flat angles P-C4'-P energy: -49.043
tors. eta vs tors. theta energy: -110.881
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: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1273.699748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.699748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.699748 (E_RNA)
where:
Base-Base interactions energy: -898.286
where: short stacking energy: -383.121
Base-Backbone interact. energy: -2.322
local terms energy: -373.092507
where:
bonds (distance) C4'-P energy: -63.551
bonds (distance) P-C4' energy: -71.145
flat angles C4'-P-C4' energy: -81.826
flat angles P-C4'-P energy: -49.998
tors. eta vs tors. theta energy: -106.572
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: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1198.288901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.288901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.288901 (E_RNA)
where:
Base-Base interactions energy: -817.674
where: short stacking energy: -352.496
Base-Backbone interact. energy: -3.425
local terms energy: -377.189379
where:
bonds (distance) C4'-P energy: -68.685
bonds (distance) P-C4' energy: -74.608
flat angles C4'-P-C4' energy: -81.541
flat angles P-C4'-P energy: -52.693
tors. eta vs tors. theta energy: -99.663
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: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1250.992990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.992990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.992990 (E_RNA)
where:
Base-Base interactions energy: -897.938
where: short stacking energy: -361.926
Base-Backbone interact. energy: 0.892
local terms energy: -353.946508
where:
bonds (distance) C4'-P energy: -61.633
bonds (distance) P-C4' energy: -69.709
flat angles C4'-P-C4' energy: -79.862
flat angles P-C4'-P energy: -49.138
tors. eta vs tors. theta energy: -93.605
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: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1148.973750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.973750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.973750 (E_RNA)
where:
Base-Base interactions energy: -797.403
where: short stacking energy: -334.462
Base-Backbone interact. energy: -1.546
local terms energy: -350.024033
where:
bonds (distance) C4'-P energy: -65.027
bonds (distance) P-C4' energy: -61.950
flat angles C4'-P-C4' energy: -80.734
flat angles P-C4'-P energy: -44.465
tors. eta vs tors. theta energy: -97.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1075.439691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.439691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.439691 (E_RNA)
where:
Base-Base interactions energy: -742.303
where: short stacking energy: -323.900
Base-Backbone interact. energy: -1.530
local terms energy: -331.606761
where:
bonds (distance) C4'-P energy: -78.571
bonds (distance) P-C4' energy: -59.220
flat angles C4'-P-C4' energy: -74.355
flat angles P-C4'-P energy: -44.141
tors. eta vs tors. theta energy: -75.320
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: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1014.722872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.722872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.722872 (E_RNA)
where:
Base-Base interactions energy: -700.279
where: short stacking energy: -291.871
Base-Backbone interact. energy: -3.073
local terms energy: -311.370132
where:
bonds (distance) C4'-P energy: -65.868
bonds (distance) P-C4' energy: -62.771
flat angles C4'-P-C4' energy: -68.856
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -70.455
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: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -842.925461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.925461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.925461 (E_RNA)
where:
Base-Base interactions energy: -573.108
where: short stacking energy: -248.761
Base-Backbone interact. energy: 0.027
local terms energy: -269.844180
where:
bonds (distance) C4'-P energy: -66.307
bonds (distance) P-C4' energy: -65.541
flat angles C4'-P-C4' energy: -51.930
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -42.392
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: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -653.057069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.057069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.057069 (E_RNA)
where:
Base-Base interactions energy: -422.282
where: short stacking energy: -185.512
Base-Backbone interact. energy: -0.726
local terms energy: -230.049346
where:
bonds (distance) C4'-P energy: -60.470
bonds (distance) P-C4' energy: -63.692
flat angles C4'-P-C4' energy: -56.539
flat angles P-C4'-P energy: -26.920
tors. eta vs tors. theta energy: -22.429
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: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1379.750805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.750805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.750805 (E_RNA)
where:
Base-Base interactions energy: -961.013
where: short stacking energy: -412.540
Base-Backbone interact. energy: -1.355
local terms energy: -417.383620
where:
bonds (distance) C4'-P energy: -70.968
bonds (distance) P-C4' energy: -77.467
flat angles C4'-P-C4' energy: -92.721
flat angles P-C4'-P energy: -56.860
tors. eta vs tors. theta energy: -119.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1289.392669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.392669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.392669 (E_RNA)
where:
Base-Base interactions energy: -929.137
where: short stacking energy: -398.389
Base-Backbone interact. energy: -1.920
local terms energy: -358.335368
where:
bonds (distance) C4'-P energy: -62.259
bonds (distance) P-C4' energy: -59.777
flat angles C4'-P-C4' energy: -78.188
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -110.583
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: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1262.231187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.231187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.231187 (E_RNA)
where:
Base-Base interactions energy: -886.772
where: short stacking energy: -360.010
Base-Backbone interact. energy: -4.294
local terms energy: -371.165605
where:
bonds (distance) C4'-P energy: -67.114
bonds (distance) P-C4' energy: -71.317
flat angles C4'-P-C4' energy: -82.173
flat angles P-C4'-P energy: -52.285
tors. eta vs tors. theta energy: -98.276
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: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1253.666103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.666103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.666103 (E_RNA)
where:
Base-Base interactions energy: -888.673
where: short stacking energy: -366.665
Base-Backbone interact. energy: -0.397
local terms energy: -364.596058
where:
bonds (distance) C4'-P energy: -64.175
bonds (distance) P-C4' energy: -77.681
flat angles C4'-P-C4' energy: -81.631
flat angles P-C4'-P energy: -48.418
tors. eta vs tors. theta energy: -92.691
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: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1167.935897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.935897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.935897 (E_RNA)
where:
Base-Base interactions energy: -821.721
where: short stacking energy: -353.778
Base-Backbone interact. energy: 0.602
local terms energy: -346.817512
where:
bonds (distance) C4'-P energy: -60.379
bonds (distance) P-C4' energy: -66.206
flat angles C4'-P-C4' energy: -71.067
flat angles P-C4'-P energy: -50.352
tors. eta vs tors. theta energy: -98.815
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: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1118.078751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.078751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.078751 (E_RNA)
where:
Base-Base interactions energy: -780.160
where: short stacking energy: -337.490
Base-Backbone interact. energy: -0.970
local terms energy: -336.949024
where:
bonds (distance) C4'-P energy: -63.815
bonds (distance) P-C4' energy: -67.657
flat angles C4'-P-C4' energy: -66.290
flat angles P-C4'-P energy: -47.979
tors. eta vs tors. theta energy: -91.208
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: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1072.134661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.134661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.134661 (E_RNA)
where:
Base-Base interactions energy: -739.482
where: short stacking energy: -332.223
Base-Backbone interact. energy: -0.895
local terms energy: -331.757554
where:
bonds (distance) C4'-P energy: -54.243
bonds (distance) P-C4' energy: -66.229
flat angles C4'-P-C4' energy: -80.065
flat angles P-C4'-P energy: -40.992
tors. eta vs tors. theta energy: -90.229
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: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -988.394297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.394297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.394297 (E_RNA)
where:
Base-Base interactions energy: -695.128
where: short stacking energy: -296.333
Base-Backbone interact. energy: -0.988
local terms energy: -292.277356
where:
bonds (distance) C4'-P energy: -63.485
bonds (distance) P-C4' energy: -58.776
flat angles C4'-P-C4' energy: -66.071
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -68.568
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: 113
Temperature: 1.300000
Total energy: -835.315450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.315450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.315450 (E_RNA)
where:
Base-Base interactions energy: -547.123
where: short stacking energy: -254.626
Base-Backbone interact. energy: -0.100
local terms energy: -288.092504
where:
bonds (distance) C4'-P energy: -57.736
bonds (distance) P-C4' energy: -63.747
flat angles C4'-P-C4' energy: -67.471
flat angles P-C4'-P energy: -35.099
tors. eta vs tors. theta energy: -64.039
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: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -661.748920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.748920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.748920 (E_RNA)
where:
Base-Base interactions energy: -409.417
where: short stacking energy: -180.736
Base-Backbone interact. energy: 0.377
local terms energy: -252.709474
where:
bonds (distance) C4'-P energy: -57.679
bonds (distance) P-C4' energy: -68.498
flat angles C4'-P-C4' energy: -62.250
flat angles P-C4'-P energy: -34.440
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: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1363.908215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.908215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.908215 (E_RNA)
where:
Base-Base interactions energy: -960.444
where: short stacking energy: -417.882
Base-Backbone interact. energy: -1.486
local terms energy: -401.977751
where:
bonds (distance) C4'-P energy: -74.495
bonds (distance) P-C4' energy: -75.184
flat angles C4'-P-C4' energy: -79.762
flat angles P-C4'-P energy: -57.001
tors. eta vs tors. theta energy: -115.534
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: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1326.775806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.775806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.775806 (E_RNA)
where:
Base-Base interactions energy: -921.627
where: short stacking energy: -398.427
Base-Backbone interact. energy: -0.702
local terms energy: -404.446947
where:
bonds (distance) C4'-P energy: -77.681
bonds (distance) P-C4' energy: -80.277
flat angles C4'-P-C4' energy: -77.887
flat angles P-C4'-P energy: -59.080
tors. eta vs tors. theta energy: -109.522
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: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1253.644112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.644112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.644112 (E_RNA)
where:
Base-Base interactions energy: -883.333
where: short stacking energy: -361.122
Base-Backbone interact. energy: -3.106
local terms energy: -367.205273
where:
bonds (distance) C4'-P energy: -68.347
bonds (distance) P-C4' energy: -71.906
flat angles C4'-P-C4' energy: -83.838
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -97.748
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: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1269.116015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.116015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.116015 (E_RNA)
where:
Base-Base interactions energy: -888.240
where: short stacking energy: -365.164
Base-Backbone interact. energy: 0.153
local terms energy: -381.029673
where:
bonds (distance) C4'-P energy: -67.999
bonds (distance) P-C4' energy: -76.016
flat angles C4'-P-C4' energy: -82.474
flat angles P-C4'-P energy: -59.634
tors. eta vs tors. theta energy: -94.906
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: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1137.491886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.491886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.491886 (E_RNA)
where:
Base-Base interactions energy: -786.520
where: short stacking energy: -317.160
Base-Backbone interact. energy: -1.204
local terms energy: -349.767649
where:
bonds (distance) C4'-P energy: -75.685
bonds (distance) P-C4' energy: -63.555
flat angles C4'-P-C4' energy: -74.629
flat angles P-C4'-P energy: -52.339
tors. eta vs tors. theta energy: -83.559
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: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1142.190884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.190884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.190884 (E_RNA)
where:
Base-Base interactions energy: -800.579
where: short stacking energy: -350.941
Base-Backbone interact. energy: -0.865
local terms energy: -340.746543
where:
bonds (distance) C4'-P energy: -51.667
bonds (distance) P-C4' energy: -67.987
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -49.585
tors. eta vs tors. theta energy: -103.067
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: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1047.625806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.625806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.625806 (E_RNA)
where:
Base-Base interactions energy: -731.719
where: short stacking energy: -319.574
Base-Backbone interact. energy: -0.772
local terms energy: -315.135283
where:
bonds (distance) C4'-P energy: -55.614
bonds (distance) P-C4' energy: -68.643
flat angles C4'-P-C4' energy: -62.113
flat angles P-C4'-P energy: -51.141
tors. eta vs tors. theta energy: -77.624
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: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1000.934513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.934513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.934513 (E_RNA)
where:
Base-Base interactions energy: -695.244
where: short stacking energy: -283.984
Base-Backbone interact. energy: -0.617
local terms energy: -305.073156
where:
bonds (distance) C4'-P energy: -69.970
bonds (distance) P-C4' energy: -49.536
flat angles C4'-P-C4' energy: -70.634
flat angles P-C4'-P energy: -51.047
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: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -836.009342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.009342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.009342 (E_RNA)
where:
Base-Base interactions energy: -540.230
where: short stacking energy: -255.754
Base-Backbone interact. energy: -2.613
local terms energy: -293.166107
where:
bonds (distance) C4'-P energy: -78.925
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -37.168
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: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -636.753097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.753097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.753097 (E_RNA)
where:
Base-Base interactions energy: -380.010
where: short stacking energy: -184.825
Base-Backbone interact. energy: 1.787
local terms energy: -258.530102
where:
bonds (distance) C4'-P energy: -54.975
bonds (distance) P-C4' energy: -60.808
flat angles C4'-P-C4' energy: -62.624
flat angles P-C4'-P energy: -47.961
tors. eta vs tors. theta energy: -32.161
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: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1357.647245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.647245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.647245 (E_RNA)
where:
Base-Base interactions energy: -928.624
where: short stacking energy: -398.003
Base-Backbone interact. energy: -0.313
local terms energy: -428.710349
where:
bonds (distance) C4'-P energy: -78.050
bonds (distance) P-C4' energy: -80.040
flat angles C4'-P-C4' energy: -93.490
flat angles P-C4'-P energy: -63.877
tors. eta vs tors. theta energy: -113.253
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: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1288.310960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.310960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.310960 (E_RNA)
where:
Base-Base interactions energy: -924.765
where: short stacking energy: -392.893
Base-Backbone interact. energy: 0.107
local terms energy: -363.653250
where:
bonds (distance) C4'-P energy: -56.744
bonds (distance) P-C4' energy: -75.374
flat angles C4'-P-C4' energy: -83.184
flat angles P-C4'-P energy: -46.644
tors. eta vs tors. theta energy: -101.708
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: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1267.681046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.681046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.681046 (E_RNA)
where:
Base-Base interactions energy: -885.194
where: short stacking energy: -394.090
Base-Backbone interact. energy: -0.931
local terms energy: -381.555799
where:
bonds (distance) C4'-P energy: -68.442
bonds (distance) P-C4' energy: -67.479
flat angles C4'-P-C4' energy: -79.893
flat angles P-C4'-P energy: -56.192
tors. eta vs tors. theta energy: -109.550
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: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1317.742384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.742384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.742384 (E_RNA)
where:
Base-Base interactions energy: -927.245
where: short stacking energy: -377.065
Base-Backbone interact. energy: 0.243
local terms energy: -390.739881
where:
bonds (distance) C4'-P energy: -66.483
bonds (distance) P-C4' energy: -71.851
flat angles C4'-P-C4' energy: -83.407
flat angles P-C4'-P energy: -61.460
tors. eta vs tors. theta energy: -107.538
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: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1162.416881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.416881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.416881 (E_RNA)
where:
Base-Base interactions energy: -810.688
where: short stacking energy: -352.177
Base-Backbone interact. energy: 6.639
local terms energy: -358.368450
where:
bonds (distance) C4'-P energy: -63.059
bonds (distance) P-C4' energy: -78.612
flat angles C4'-P-C4' energy: -83.674
flat angles P-C4'-P energy: -49.885
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: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1104.919371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.919371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.919371 (E_RNA)
where:
Base-Base interactions energy: -755.648
where: short stacking energy: -340.826
Base-Backbone interact. energy: -1.530
local terms energy: -347.742171
where:
bonds (distance) C4'-P energy: -59.921
bonds (distance) P-C4' energy: -73.440
flat angles C4'-P-C4' energy: -72.018
flat angles P-C4'-P energy: -45.847
tors. eta vs tors. theta energy: -96.517
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1068.864357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.864357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.864357 (E_RNA)
where:
Base-Base interactions energy: -719.018
where: short stacking energy: -331.792
Base-Backbone interact. energy: 0.105
local terms energy: -349.950385
where:
bonds (distance) C4'-P energy: -80.447
bonds (distance) P-C4' energy: -64.400
flat angles C4'-P-C4' energy: -67.274
flat angles P-C4'-P energy: -43.833
tors. eta vs tors. theta energy: -93.996
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: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -940.744621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.744621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.744621 (E_RNA)
where:
Base-Base interactions energy: -640.791
where: short stacking energy: -259.638
Base-Backbone interact. energy: -2.011
local terms energy: -297.942529
where:
bonds (distance) C4'-P energy: -57.596
bonds (distance) P-C4' energy: -52.775
flat angles C4'-P-C4' energy: -74.989
flat angles P-C4'-P energy: -51.685
tors. eta vs tors. theta energy: -60.898
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: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -838.636667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.636667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.636667 (E_RNA)
where:
Base-Base interactions energy: -564.467
where: short stacking energy: -253.171
Base-Backbone interact. energy: 2.621
local terms energy: -276.791128
where:
bonds (distance) C4'-P energy: -62.239
bonds (distance) P-C4' energy: -59.411
flat angles C4'-P-C4' energy: -57.831
flat angles P-C4'-P energy: -33.996
tors. eta vs tors. theta energy: -63.315
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: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -645.820942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.820942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.820942 (E_RNA)
where:
Base-Base interactions energy: -418.820
where: short stacking energy: -186.367
Base-Backbone interact. energy: -1.621
local terms energy: -225.379855
where:
bonds (distance) C4'-P energy: -53.420
bonds (distance) P-C4' energy: -62.585
flat angles C4'-P-C4' energy: -62.928
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -23.400
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: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1347.104839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.104839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.104839 (E_RNA)
where:
Base-Base interactions energy: -949.995
where: short stacking energy: -394.775
Base-Backbone interact. energy: -2.431
local terms energy: -394.678519
where:
bonds (distance) C4'-P energy: -69.160
bonds (distance) P-C4' energy: -76.440
flat angles C4'-P-C4' energy: -85.338
flat angles P-C4'-P energy: -55.778
tors. eta vs tors. theta energy: -107.963
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: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1298.373353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.373353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.373353 (E_RNA)
where:
Base-Base interactions energy: -912.111
where: short stacking energy: -389.631
Base-Backbone interact. energy: -2.316
local terms energy: -383.946517
where:
bonds (distance) C4'-P energy: -72.908
bonds (distance) P-C4' energy: -73.504
flat angles C4'-P-C4' energy: -79.749
flat angles P-C4'-P energy: -52.242
tors. eta vs tors. theta energy: -105.543
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: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1350.333784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.333784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.333784 (E_RNA)
where:
Base-Base interactions energy: -962.807
where: short stacking energy: -403.168
Base-Backbone interact. energy: -2.015
local terms energy: -385.511638
where:
bonds (distance) C4'-P energy: -69.820
bonds (distance) P-C4' energy: -64.210
flat angles C4'-P-C4' energy: -91.438
flat angles P-C4'-P energy: -53.565
tors. eta vs tors. theta energy: -106.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1256.288244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.288244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.288244 (E_RNA)
where:
Base-Base interactions energy: -888.756
where: short stacking energy: -393.124
Base-Backbone interact. energy: 3.308
local terms energy: -370.840163
where:
bonds (distance) C4'-P energy: -72.937
bonds (distance) P-C4' energy: -64.060
flat angles C4'-P-C4' energy: -79.235
flat angles P-C4'-P energy: -48.912
tors. eta vs tors. theta energy: -105.695
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: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1168.668609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.668609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.668609 (E_RNA)
where:
Base-Base interactions energy: -802.117
where: short stacking energy: -344.376
Base-Backbone interact. energy: -1.311
local terms energy: -365.240490
where:
bonds (distance) C4'-P energy: -70.742
bonds (distance) P-C4' energy: -75.057
flat angles C4'-P-C4' energy: -82.804
flat angles P-C4'-P energy: -46.543
tors. eta vs tors. theta energy: -90.095
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: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1117.752483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.752483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.752483 (E_RNA)
where:
Base-Base interactions energy: -795.167
where: short stacking energy: -339.183
Base-Backbone interact. energy: -1.339
local terms energy: -321.246045
where:
bonds (distance) C4'-P energy: -44.866
bonds (distance) P-C4' energy: -69.388
flat angles C4'-P-C4' energy: -72.939
flat angles P-C4'-P energy: -48.036
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: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1073.214121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.214121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.214121 (E_RNA)
where:
Base-Base interactions energy: -744.483
where: short stacking energy: -308.771
Base-Backbone interact. energy: -0.603
local terms energy: -328.127699
where:
bonds (distance) C4'-P energy: -72.830
bonds (distance) P-C4' energy: -55.341
flat angles C4'-P-C4' energy: -71.144
flat angles P-C4'-P energy: -47.015
tors. eta vs tors. theta energy: -81.798
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: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -960.918075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.918075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.918075 (E_RNA)
where:
Base-Base interactions energy: -644.776
where: short stacking energy: -284.532
Base-Backbone interact. energy: -1.954
local terms energy: -314.188539
where:
bonds (distance) C4'-P energy: -67.787
bonds (distance) P-C4' energy: -67.725
flat angles C4'-P-C4' energy: -66.322
flat angles P-C4'-P energy: -40.056
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: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -836.060202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.060202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.060202 (E_RNA)
where:
Base-Base interactions energy: -554.286
where: short stacking energy: -229.549
Base-Backbone interact. energy: 1.308
local terms energy: -283.082364
where:
bonds (distance) C4'-P energy: -56.271
bonds (distance) P-C4' energy: -63.775
flat angles C4'-P-C4' energy: -74.131
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: -56.037
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: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -652.252556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.252556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.252556 (E_RNA)
where:
Base-Base interactions energy: -394.041
where: short stacking energy: -175.810
Base-Backbone interact. energy: -1.465
local terms energy: -256.746934
where:
bonds (distance) C4'-P energy: -57.577
bonds (distance) P-C4' energy: -64.251
flat angles C4'-P-C4' energy: -77.326
flat angles P-C4'-P energy: -35.623
tors. eta vs tors. theta energy: -21.969
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: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1337.705537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.705537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.705537 (E_RNA)
where:
Base-Base interactions energy: -964.093
where: short stacking energy: -411.225
Base-Backbone interact. energy: -0.141
local terms energy: -373.472323
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -72.117
flat angles C4'-P-C4' energy: -78.315
flat angles P-C4'-P energy: -49.661
tors. eta vs tors. theta energy: -109.423
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: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1377.094521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.094521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.094521 (E_RNA)
where:
Base-Base interactions energy: -982.032
where: short stacking energy: -402.976
Base-Backbone interact. energy: -0.398
local terms energy: -394.664226
where:
bonds (distance) C4'-P energy: -75.253
bonds (distance) P-C4' energy: -72.894
flat angles C4'-P-C4' energy: -85.510
flat angles P-C4'-P energy: -55.644
tors. eta vs tors. theta energy: -105.364
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: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1286.805071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.805071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.805071 (E_RNA)
where:
Base-Base interactions energy: -916.107
where: short stacking energy: -379.940
Base-Backbone interact. energy: -2.248
local terms energy: -368.449795
where:
bonds (distance) C4'-P energy: -71.201
bonds (distance) P-C4' energy: -55.884
flat angles C4'-P-C4' energy: -77.470
flat angles P-C4'-P energy: -58.359
tors. eta vs tors. theta energy: -105.536
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: 117
Temperature: 1.050000
Total energy: -1250.538178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.538178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.538178 (E_RNA)
where:
Base-Base interactions energy: -868.833
where: short stacking energy: -369.869
Base-Backbone interact. energy: -0.237
local terms energy: -381.467816
where:
bonds (distance) C4'-P energy: -72.939
bonds (distance) P-C4' energy: -69.097
flat angles C4'-P-C4' energy: -78.883
flat angles P-C4'-P energy: -54.705
tors. eta vs tors. theta energy: -105.845
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: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1177.977607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.977607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.977607 (E_RNA)
where:
Base-Base interactions energy: -815.464
where: short stacking energy: -352.546
Base-Backbone interact. energy: -2.829
local terms energy: -359.684239
where:
bonds (distance) C4'-P energy: -62.013
bonds (distance) P-C4' energy: -77.348
flat angles C4'-P-C4' energy: -72.787
flat angles P-C4'-P energy: -47.825
tors. eta vs tors. theta energy: -99.711
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: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1120.974147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.974147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.974147 (E_RNA)
where:
Base-Base interactions energy: -801.924
where: short stacking energy: -348.681
Base-Backbone interact. energy: -0.630
local terms energy: -318.419971
where:
bonds (distance) C4'-P energy: -64.024
bonds (distance) P-C4' energy: -55.069
flat angles C4'-P-C4' energy: -61.109
flat angles P-C4'-P energy: -43.932
tors. eta vs tors. theta energy: -94.287
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: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1118.175627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.175627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.175627 (E_RNA)
where:
Base-Base interactions energy: -781.316
where: short stacking energy: -341.126
Base-Backbone interact. energy: -1.543
local terms energy: -335.316506
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -62.307
flat angles C4'-P-C4' energy: -66.155
flat angles P-C4'-P energy: -49.236
tors. eta vs tors. theta energy: -85.284
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: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -953.225572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.225572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.225572 (E_RNA)
where:
Base-Base interactions energy: -632.058
where: short stacking energy: -274.145
Base-Backbone interact. energy: -1.682
local terms energy: -319.485661
where:
bonds (distance) C4'-P energy: -62.253
bonds (distance) P-C4' energy: -65.576
flat angles C4'-P-C4' energy: -70.331
flat angles P-C4'-P energy: -48.089
tors. eta vs tors. theta energy: -73.236
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: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -822.612262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.612262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.612262 (E_RNA)
where:
Base-Base interactions energy: -534.701
where: short stacking energy: -251.313
Base-Backbone interact. energy: -0.135
local terms energy: -287.776816
where:
bonds (distance) C4'-P energy: -58.270
bonds (distance) P-C4' energy: -65.188
flat angles C4'-P-C4' energy: -62.748
flat angles P-C4'-P energy: -46.652
tors. eta vs tors. theta energy: -54.919
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: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -612.905072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.905072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.905072 (E_RNA)
where:
Base-Base interactions energy: -378.764
where: short stacking energy: -186.180
Base-Backbone interact. energy: -1.810
local terms energy: -232.331693
where:
bonds (distance) C4'-P energy: -58.828
bonds (distance) P-C4' energy: -64.721
flat angles C4'-P-C4' energy: -59.342
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -34.701
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: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1412.833182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.833182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.833182 (E_RNA)
where:
Base-Base interactions energy: -1005.245
where: short stacking energy: -426.287
Base-Backbone interact. energy: -0.403
local terms energy: -407.184580
where:
bonds (distance) C4'-P energy: -74.522
bonds (distance) P-C4' energy: -81.805
flat angles C4'-P-C4' energy: -79.429
flat angles P-C4'-P energy: -55.930
tors. eta vs tors. theta energy: -115.498
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: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1336.999858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.999858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.999858 (E_RNA)
where:
Base-Base interactions energy: -936.095
where: short stacking energy: -402.219
Base-Backbone interact. energy: 1.227
local terms energy: -402.131878
where:
bonds (distance) C4'-P energy: -77.071
bonds (distance) P-C4' energy: -72.873
flat angles C4'-P-C4' energy: -77.907
flat angles P-C4'-P energy: -63.045
tors. eta vs tors. theta energy: -111.236
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: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1279.608350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.608350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.608350 (E_RNA)
where:
Base-Base interactions energy: -899.948
where: short stacking energy: -358.328
Base-Backbone interact. energy: -3.644
local terms energy: -376.016318
where:
bonds (distance) C4'-P energy: -77.065
bonds (distance) P-C4' energy: -77.947
flat angles C4'-P-C4' energy: -76.199
flat angles P-C4'-P energy: -53.906
tors. eta vs tors. theta energy: -90.900
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: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1252.348522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.348522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.348522 (E_RNA)
where:
Base-Base interactions energy: -892.597
where: short stacking energy: -381.265
Base-Backbone interact. energy: 5.689
local terms energy: -365.440381
where:
bonds (distance) C4'-P energy: -64.211
bonds (distance) P-C4' energy: -65.355
flat angles C4'-P-C4' energy: -85.927
flat angles P-C4'-P energy: -46.015
tors. eta vs tors. theta energy: -103.932
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: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1142.407694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.407694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.407694 (E_RNA)
where:
Base-Base interactions energy: -767.497
where: short stacking energy: -336.688
Base-Backbone interact. energy: -0.302
local terms energy: -374.609378
where:
bonds (distance) C4'-P energy: -68.412
bonds (distance) P-C4' energy: -77.960
flat angles C4'-P-C4' energy: -82.125
flat angles P-C4'-P energy: -48.334
tors. eta vs tors. theta energy: -97.779
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: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1144.007896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.007896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.007896 (E_RNA)
where:
Base-Base interactions energy: -791.176
where: short stacking energy: -326.234
Base-Backbone interact. energy: -1.489
local terms energy: -351.343324
where:
bonds (distance) C4'-P energy: -64.182
bonds (distance) P-C4' energy: -69.778
flat angles C4'-P-C4' energy: -73.698
flat angles P-C4'-P energy: -49.819
tors. eta vs tors. theta energy: -93.866
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: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1087.144444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.144444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.144444 (E_RNA)
where:
Base-Base interactions energy: -756.933
where: short stacking energy: -319.982
Base-Backbone interact. energy: 0.432
local terms energy: -330.643122
where:
bonds (distance) C4'-P energy: -60.669
bonds (distance) P-C4' energy: -59.438
flat angles C4'-P-C4' energy: -81.222
flat angles P-C4'-P energy: -55.227
tors. eta vs tors. theta energy: -74.087
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: 8, replica: 3
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -928.602134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.602134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.602134 (E_RNA)
where:
Base-Base interactions energy: -643.670
where: short stacking energy: -269.271
Base-Backbone interact. energy: -2.345
local terms energy: -282.587015
where:
bonds (distance) C4'-P energy: -54.440
bonds (distance) P-C4' energy: -58.928
flat angles C4'-P-C4' energy: -78.560
flat angles P-C4'-P energy: -33.827
tors. eta vs tors. theta energy: -56.831
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: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -768.240759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.240759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.240759 (E_RNA)
where:
Base-Base interactions energy: -499.345
where: short stacking energy: -216.641
Base-Backbone interact. energy: 0.564
local terms energy: -269.460383
where:
bonds (distance) C4'-P energy: -45.392
bonds (distance) P-C4' energy: -59.992
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -49.378
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: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -601.888868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.888868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.888868 (E_RNA)
where:
Base-Base interactions energy: -378.868
where: short stacking energy: -183.235
Base-Backbone interact. energy: 1.642
local terms energy: -224.662877
where:
bonds (distance) C4'-P energy: -40.242
bonds (distance) P-C4' energy: -65.552
flat angles C4'-P-C4' energy: -56.575
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: -26.180
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: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1419.479861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.479861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.479861 (E_RNA)
where:
Base-Base interactions energy: -1018.691
where: short stacking energy: -418.662
Base-Backbone interact. energy: -1.229
local terms energy: -399.559716
where:
bonds (distance) C4'-P energy: -66.833
bonds (distance) P-C4' energy: -78.640
flat angles C4'-P-C4' energy: -87.010
flat angles P-C4'-P energy: -60.993
tors. eta vs tors. theta energy: -106.083
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: 119
Temperature: 0.950000
Total energy: -1319.529402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.529402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.529402 (E_RNA)
where:
Base-Base interactions energy: -921.921
where: short stacking energy: -395.948
Base-Backbone interact. energy: -2.386
local terms energy: -395.223007
where:
bonds (distance) C4'-P energy: -77.477
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -78.279
flat angles P-C4'-P energy: -48.227
tors. eta vs tors. theta energy: -110.884
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: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1279.798617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.798617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.798617 (E_RNA)
where:
Base-Base interactions energy: -911.733
where: short stacking energy: -386.266
Base-Backbone interact. energy: -4.651
local terms energy: -363.414894
where:
bonds (distance) C4'-P energy: -64.162
bonds (distance) P-C4' energy: -67.152
flat angles C4'-P-C4' energy: -82.398
flat angles P-C4'-P energy: -50.771
tors. eta vs tors. theta energy: -98.932
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: 119
Temperature: 1.050000
Total energy: -1242.911267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.911267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.911267 (E_RNA)
where:
Base-Base interactions energy: -877.880
where: short stacking energy: -386.749
Base-Backbone interact. energy: -0.403
local terms energy: -364.628275
where:
bonds (distance) C4'-P energy: -66.906
bonds (distance) P-C4' energy: -68.483
flat angles C4'-P-C4' energy: -76.839
flat angles P-C4'-P energy: -51.862
tors. eta vs tors. theta energy: -100.538
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: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1106.060941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.060941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.060941 (E_RNA)
where:
Base-Base interactions energy: -788.782
where: short stacking energy: -326.098
Base-Backbone interact. energy: 0.755
local terms energy: -318.034837
where:
bonds (distance) C4'-P energy: -48.053
bonds (distance) P-C4' energy: -74.179
flat angles C4'-P-C4' energy: -67.948
flat angles P-C4'-P energy: -47.406
tors. eta vs tors. theta energy: -80.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1137.982109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.982109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.982109 (E_RNA)
where:
Base-Base interactions energy: -781.536
where: short stacking energy: -321.842
Base-Backbone interact. energy: -0.510
local terms energy: -355.936502
where:
bonds (distance) C4'-P energy: -72.368
bonds (distance) P-C4' energy: -67.014
flat angles C4'-P-C4' energy: -75.527
flat angles P-C4'-P energy: -50.569
tors. eta vs tors. theta energy: -90.459
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: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1075.681779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.681779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.681779 (E_RNA)
where:
Base-Base interactions energy: -741.456
where: short stacking energy: -313.986
Base-Backbone interact. energy: -2.269
local terms energy: -331.957176
where:
bonds (distance) C4'-P energy: -68.333
bonds (distance) P-C4' energy: -64.787
flat angles C4'-P-C4' energy: -74.803
flat angles P-C4'-P energy: -45.950
tors. eta vs tors. theta energy: -78.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -941.566349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.566349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.566349 (E_RNA)
where:
Base-Base interactions energy: -642.271
where: short stacking energy: -272.807
Base-Backbone interact. energy: -1.896
local terms energy: -297.399969
where:
bonds (distance) C4'-P energy: -65.159
bonds (distance) P-C4' energy: -62.855
flat angles C4'-P-C4' energy: -65.207
flat angles P-C4'-P energy: -46.756
tors. eta vs tors. theta energy: -57.423
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: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -687.486206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.486206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.486206 (E_RNA)
where:
Base-Base interactions energy: -418.102
where: short stacking energy: -182.185
Base-Backbone interact. energy: -0.173
local terms energy: -269.210824
where:
bonds (distance) C4'-P energy: -51.528
bonds (distance) P-C4' energy: -65.669
flat angles C4'-P-C4' energy: -76.238
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -38.969
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: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -610.242938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.242938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.242938 (E_RNA)
where:
Base-Base interactions energy: -374.026
where: short stacking energy: -169.066
Base-Backbone interact. energy: -1.106
local terms energy: -235.111291
where:
bonds (distance) C4'-P energy: -61.005
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -64.896
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -32.689
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: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1405.288271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.288271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.288271 (E_RNA)
where:
Base-Base interactions energy: -1003.096
where: short stacking energy: -414.735
Base-Backbone interact. energy: -0.773
local terms energy: -401.418620
where:
bonds (distance) C4'-P energy: -72.776
bonds (distance) P-C4' energy: -76.185
flat angles C4'-P-C4' energy: -81.959
flat angles P-C4'-P energy: -56.627
tors. eta vs tors. theta energy: -113.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1338.193188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.193188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.193188 (E_RNA)
where:
Base-Base interactions energy: -943.930
where: short stacking energy: -398.221
Base-Backbone interact. energy: 0.057
local terms energy: -394.320224
where:
bonds (distance) C4'-P energy: -59.719
bonds (distance) P-C4' energy: -82.657
flat angles C4'-P-C4' energy: -76.743
flat angles P-C4'-P energy: -60.202
tors. eta vs tors. theta energy: -115.000
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: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1271.624037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.624037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.624037 (E_RNA)
where:
Base-Base interactions energy: -903.639
where: short stacking energy: -361.366
Base-Backbone interact. energy: 1.557
local terms energy: -369.541797
where:
bonds (distance) C4'-P energy: -69.538
bonds (distance) P-C4' energy: -70.057
flat angles C4'-P-C4' energy: -84.202
flat angles P-C4'-P energy: -51.900
tors. eta vs tors. theta energy: -93.844
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: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1207.866041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.866041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.866041 (E_RNA)
where:
Base-Base interactions energy: -833.450
where: short stacking energy: -367.391
Base-Backbone interact. energy: -1.281
local terms energy: -373.134289
where:
bonds (distance) C4'-P energy: -71.305
bonds (distance) P-C4' energy: -63.565
flat angles C4'-P-C4' energy: -76.123
flat angles P-C4'-P energy: -52.782
tors. eta vs tors. theta energy: -109.360
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: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1155.072283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.072283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.072283 (E_RNA)
where:
Base-Base interactions energy: -795.154
where: short stacking energy: -328.002
Base-Backbone interact. energy: 1.757
local terms energy: -361.675320
where:
bonds (distance) C4'-P energy: -78.595
bonds (distance) P-C4' energy: -60.610
flat angles C4'-P-C4' energy: -79.656
flat angles P-C4'-P energy: -51.022
tors. eta vs tors. theta energy: -91.792
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: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1121.496647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.496647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.496647 (E_RNA)
where:
Base-Base interactions energy: -769.995
where: short stacking energy: -335.508
Base-Backbone interact. energy: -2.177
local terms energy: -349.325058
where:
bonds (distance) C4'-P energy: -63.652
bonds (distance) P-C4' energy: -65.421
flat angles C4'-P-C4' energy: -79.802
flat angles P-C4'-P energy: -55.362
tors. eta vs tors. theta energy: -85.088
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: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1109.738922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.738922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.738922 (E_RNA)
where:
Base-Base interactions energy: -777.483
where: short stacking energy: -331.509
Base-Backbone interact. energy: 1.220
local terms energy: -333.476261
where:
bonds (distance) C4'-P energy: -51.235
bonds (distance) P-C4' energy: -80.065
flat angles C4'-P-C4' energy: -75.911
flat angles P-C4'-P energy: -39.775
tors. eta vs tors. theta energy: -86.490
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: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -896.336197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.336197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.336197 (E_RNA)
where:
Base-Base interactions energy: -608.506
where: short stacking energy: -246.985
Base-Backbone interact. energy: 2.429
local terms energy: -290.259297
where:
bonds (distance) C4'-P energy: -63.367
bonds (distance) P-C4' energy: -72.409
flat angles C4'-P-C4' energy: -62.856
flat angles P-C4'-P energy: -38.662
tors. eta vs tors. theta energy: -52.965
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: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -697.665733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.665733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.665733 (E_RNA)
where:
Base-Base interactions energy: -440.625
where: short stacking energy: -205.168
Base-Backbone interact. energy: -1.219
local terms energy: -255.821521
where:
bonds (distance) C4'-P energy: -67.037
bonds (distance) P-C4' energy: -52.545
flat angles C4'-P-C4' energy: -53.137
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -45.338
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: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -615.876045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.876045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.876045 (E_RNA)
where:
Base-Base interactions energy: -389.534
where: short stacking energy: -194.881
Base-Backbone interact. energy: 1.697
local terms energy: -228.038382
where:
bonds (distance) C4'-P energy: -62.925
bonds (distance) P-C4' energy: -55.606
flat angles C4'-P-C4' energy: -47.337
flat angles P-C4'-P energy: -43.933
tors. eta vs tors. theta energy: -18.238
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: 121
Temperature: 0.900000
Total energy: -1427.751649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.751649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.751649 (E_RNA)
where:
Base-Base interactions energy: -1022.911
where: short stacking energy: -415.022
Base-Backbone interact. energy: -1.385
local terms energy: -403.455706
where:
bonds (distance) C4'-P energy: -72.049
bonds (distance) P-C4' energy: -74.032
flat angles C4'-P-C4' energy: -91.520
flat angles P-C4'-P energy: -54.501
tors. eta vs tors. theta energy: -111.353
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: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1354.147917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.147917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.147917 (E_RNA)
where:
Base-Base interactions energy: -950.952
where: short stacking energy: -392.509
Base-Backbone interact. energy: -0.207
local terms energy: -402.989211
where:
bonds (distance) C4'-P energy: -70.980
bonds (distance) P-C4' energy: -73.908
flat angles C4'-P-C4' energy: -82.834
flat angles P-C4'-P energy: -58.017
tors. eta vs tors. theta energy: -117.250
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: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1271.903742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.903742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.903742 (E_RNA)
where:
Base-Base interactions energy: -888.337
where: short stacking energy: -374.599
Base-Backbone interact. energy: -1.141
local terms energy: -382.426317
where:
bonds (distance) C4'-P energy: -61.882
bonds (distance) P-C4' energy: -78.205
flat angles C4'-P-C4' energy: -85.808
flat angles P-C4'-P energy: -54.568
tors. eta vs tors. theta energy: -101.964
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: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1237.775224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.775224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.775224 (E_RNA)
where:
Base-Base interactions energy: -852.794
where: short stacking energy: -381.148
Base-Backbone interact. energy: -2.086
local terms energy: -382.895265
where:
bonds (distance) C4'-P energy: -65.671
bonds (distance) P-C4' energy: -73.743
flat angles C4'-P-C4' energy: -73.457
flat angles P-C4'-P energy: -54.902
tors. eta vs tors. theta energy: -115.123
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: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1162.739836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.739836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.739836 (E_RNA)
where:
Base-Base interactions energy: -809.009
where: short stacking energy: -334.708
Base-Backbone interact. energy: -0.859
local terms energy: -352.871919
where:
bonds (distance) C4'-P energy: -51.498
bonds (distance) P-C4' energy: -76.803
flat angles C4'-P-C4' energy: -68.791
flat angles P-C4'-P energy: -53.174
tors. eta vs tors. theta energy: -102.605
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: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1117.889676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.889676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.889676 (E_RNA)
where:
Base-Base interactions energy: -788.948
where: short stacking energy: -324.195
Base-Backbone interact. energy: -1.179
local terms energy: -327.762325
where:
bonds (distance) C4'-P energy: -60.881
bonds (distance) P-C4' energy: -58.028
flat angles C4'-P-C4' energy: -72.742
flat angles P-C4'-P energy: -46.854
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: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1072.041000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.041000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.041000 (E_RNA)
where:
Base-Base interactions energy: -742.467
where: short stacking energy: -316.552
Base-Backbone interact. energy: -0.162
local terms energy: -329.412309
where:
bonds (distance) C4'-P energy: -69.676
bonds (distance) P-C4' energy: -61.207
flat angles C4'-P-C4' energy: -75.187
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -88.010
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: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -905.528508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.528508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.528508 (E_RNA)
where:
Base-Base interactions energy: -622.395
where: short stacking energy: -245.614
Base-Backbone interact. energy: 0.124
local terms energy: -283.257270
where:
bonds (distance) C4'-P energy: -68.528
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -64.363
flat angles P-C4'-P energy: -33.501
tors. eta vs tors. theta energy: -56.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -718.678779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.678779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.678779 (E_RNA)
where:
Base-Base interactions energy: -461.878
where: short stacking energy: -213.481
Base-Backbone interact. energy: -0.999
local terms energy: -255.801655
where:
bonds (distance) C4'-P energy: -57.943
bonds (distance) P-C4' energy: -58.735
flat angles C4'-P-C4' energy: -63.988
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -50.405
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: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -630.501430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.501430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.501430 (E_RNA)
where:
Base-Base interactions energy: -390.761
where: short stacking energy: -162.759
Base-Backbone interact. energy: 0.349
local terms energy: -240.090128
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -71.962
flat angles C4'-P-C4' energy: -59.081
flat angles P-C4'-P energy: -38.643
tors. eta vs tors. theta energy: -16.570
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: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1434.679298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.679298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.679298 (E_RNA)
where:
Base-Base interactions energy: -1032.465
where: short stacking energy: -412.669
Base-Backbone interact. energy: -0.338
local terms energy: -401.875589
where:
bonds (distance) C4'-P energy: -80.803
bonds (distance) P-C4' energy: -66.225
flat angles C4'-P-C4' energy: -84.708
flat angles P-C4'-P energy: -59.503
tors. eta vs tors. theta energy: -110.637
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: 122
Temperature: 0.950000
Total energy: -1319.304223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.304223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.304223 (E_RNA)
where:
Base-Base interactions energy: -943.107
where: short stacking energy: -398.026
Base-Backbone interact. energy: -0.582
local terms energy: -375.615224
where:
bonds (distance) C4'-P energy: -62.965
bonds (distance) P-C4' energy: -79.872
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -49.264
tors. eta vs tors. theta energy: -103.860
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: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1246.994666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.994666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.994666 (E_RNA)
where:
Base-Base interactions energy: -874.281
where: short stacking energy: -370.801
Base-Backbone interact. energy: -2.904
local terms energy: -369.809530
where:
bonds (distance) C4'-P energy: -66.310
bonds (distance) P-C4' energy: -75.423
flat angles C4'-P-C4' energy: -82.565
flat angles P-C4'-P energy: -45.338
tors. eta vs tors. theta energy: -100.174
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: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1209.910093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.910093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.910093 (E_RNA)
where:
Base-Base interactions energy: -857.503
where: short stacking energy: -368.448
Base-Backbone interact. energy: -1.422
local terms energy: -350.984644
where:
bonds (distance) C4'-P energy: -74.206
bonds (distance) P-C4' energy: -57.585
flat angles C4'-P-C4' energy: -69.425
flat angles P-C4'-P energy: -35.278
tors. eta vs tors. theta energy: -114.491
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: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1143.731933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.731933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.731933 (E_RNA)
where:
Base-Base interactions energy: -799.684
where: short stacking energy: -343.106
Base-Backbone interact. energy: -3.243
local terms energy: -340.804835
where:
bonds (distance) C4'-P energy: -56.155
bonds (distance) P-C4' energy: -70.918
flat angles C4'-P-C4' energy: -71.609
flat angles P-C4'-P energy: -49.771
tors. eta vs tors. theta energy: -92.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1138.965919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.965919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.965919 (E_RNA)
where:
Base-Base interactions energy: -792.028
where: short stacking energy: -323.639
Base-Backbone interact. energy: -0.303
local terms energy: -346.634893
where:
bonds (distance) C4'-P energy: -60.968
bonds (distance) P-C4' energy: -74.617
flat angles C4'-P-C4' energy: -73.156
flat angles P-C4'-P energy: -49.764
tors. eta vs tors. theta energy: -88.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1078.565278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.565278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.565278 (E_RNA)
where:
Base-Base interactions energy: -734.102
where: short stacking energy: -306.364
Base-Backbone interact. energy: 0.859
local terms energy: -345.322262
where:
bonds (distance) C4'-P energy: -65.964
bonds (distance) P-C4' energy: -63.596
flat angles C4'-P-C4' energy: -83.227
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: -83.226
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: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -956.245552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.245552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.245552 (E_RNA)
where:
Base-Base interactions energy: -662.506
where: short stacking energy: -273.121
Base-Backbone interact. energy: 0.085
local terms energy: -293.823974
where:
bonds (distance) C4'-P energy: -61.222
bonds (distance) P-C4' energy: -51.882
flat angles C4'-P-C4' energy: -71.712
flat angles P-C4'-P energy: -45.088
tors. eta vs tors. theta energy: -63.920
Dist. restrs. and SS energy: 0.000 (S_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: 122
Temperature: 1.300000
Total energy: -715.226961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.226961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.226961 (E_RNA)
where:
Base-Base interactions energy: -473.778
where: short stacking energy: -195.948
Base-Backbone interact. energy: 4.395
local terms energy: -245.844073
where:
bonds (distance) C4'-P energy: -61.042
bonds (distance) P-C4' energy: -59.234
flat angles C4'-P-C4' energy: -50.310
flat angles P-C4'-P energy: -44.679
tors. eta vs tors. theta energy: -30.579
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: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -591.293364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.293364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.293364 (E_RNA)
where:
Base-Base interactions energy: -379.469
where: short stacking energy: -184.401
Base-Backbone interact. energy: -2.071
local terms energy: -209.754172
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -60.641
flat angles C4'-P-C4' energy: -47.807
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1423.769065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.769065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.769065 (E_RNA)
where:
Base-Base interactions energy: -1008.729
where: short stacking energy: -405.176
Base-Backbone interact. energy: -1.090
local terms energy: -413.949622
where:
bonds (distance) C4'-P energy: -72.710
bonds (distance) P-C4' energy: -84.572
flat angles C4'-P-C4' energy: -87.958
flat angles P-C4'-P energy: -56.710
tors. eta vs tors. theta energy: -111.999
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: 123
Temperature: 0.950000
Total energy: -1326.319183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.319183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.319183 (E_RNA)
where:
Base-Base interactions energy: -940.296
where: short stacking energy: -394.789
Base-Backbone interact. energy: -2.965
local terms energy: -383.058549
where:
bonds (distance) C4'-P energy: -73.859
bonds (distance) P-C4' energy: -66.652
flat angles C4'-P-C4' energy: -82.180
flat angles P-C4'-P energy: -50.859
tors. eta vs tors. theta energy: -109.508
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: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1263.952835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.952835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.952835 (E_RNA)
where:
Base-Base interactions energy: -907.956
where: short stacking energy: -365.342
Base-Backbone interact. energy: -0.821
local terms energy: -355.176154
where:
bonds (distance) C4'-P energy: -70.795
bonds (distance) P-C4' energy: -67.329
flat angles C4'-P-C4' energy: -75.306
flat angles P-C4'-P energy: -46.688
tors. eta vs tors. theta energy: -95.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1217.875147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.875147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.875147 (E_RNA)
where:
Base-Base interactions energy: -848.149
where: short stacking energy: -354.449
Base-Backbone interact. energy: 0.313
local terms energy: -370.038185
where:
bonds (distance) C4'-P energy: -60.521
bonds (distance) P-C4' energy: -69.871
flat angles C4'-P-C4' energy: -84.201
flat angles P-C4'-P energy: -57.977
tors. eta vs tors. theta energy: -97.468
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: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1148.402055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.402055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.402055 (E_RNA)
where:
Base-Base interactions energy: -792.685
where: short stacking energy: -331.671
Base-Backbone interact. energy: 0.784
local terms energy: -356.501237
where:
bonds (distance) C4'-P energy: -63.087
bonds (distance) P-C4' energy: -71.362
flat angles C4'-P-C4' energy: -77.684
flat angles P-C4'-P energy: -47.256
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: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1139.243283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.243283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.243283 (E_RNA)
where:
Base-Base interactions energy: -775.419
where: short stacking energy: -331.293
Base-Backbone interact. energy: -0.397
local terms energy: -363.427944
where:
bonds (distance) C4'-P energy: -68.232
bonds (distance) P-C4' energy: -74.595
flat angles C4'-P-C4' energy: -77.265
flat angles P-C4'-P energy: -50.537
tors. eta vs tors. theta energy: -92.799
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: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1040.743451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.743451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.743451 (E_RNA)
where:
Base-Base interactions energy: -715.541
where: short stacking energy: -307.087
Base-Backbone interact. energy: 2.242
local terms energy: -327.444487
where:
bonds (distance) C4'-P energy: -62.429
bonds (distance) P-C4' energy: -74.004
flat angles C4'-P-C4' energy: -76.209
flat angles P-C4'-P energy: -39.397
tors. eta vs tors. theta energy: -75.405
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: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -955.357989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.357989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.357989 (E_RNA)
where:
Base-Base interactions energy: -669.479
where: short stacking energy: -268.778
Base-Backbone interact. energy: 1.739
local terms energy: -287.617790
where:
bonds (distance) C4'-P energy: -68.030
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -62.882
flat angles P-C4'-P energy: -39.057
tors. eta vs tors. theta energy: -66.565
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: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -721.200819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.200819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.200819 (E_RNA)
where:
Base-Base interactions energy: -478.941
where: short stacking energy: -212.563
Base-Backbone interact. energy: -0.888
local terms energy: -241.372393
where:
bonds (distance) C4'-P energy: -52.995
bonds (distance) P-C4' energy: -69.383
flat angles C4'-P-C4' energy: -49.514
flat angles P-C4'-P energy: -26.440
tors. eta vs tors. theta energy: -43.041
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: 123
Temperature: 1.350000
Total energy: -594.301615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.301615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.301615 (E_RNA)
where:
Base-Base interactions energy: -366.489
where: short stacking energy: -179.562
Base-Backbone interact. energy: 5.228
local terms energy: -233.040519
where:
bonds (distance) C4'-P energy: -61.032
bonds (distance) P-C4' energy: -66.712
flat angles C4'-P-C4' energy: -51.151
flat angles P-C4'-P energy: -35.242
tors. eta vs tors. theta energy: -18.903
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: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1439.149920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.149920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.149920 (E_RNA)
where:
Base-Base interactions energy: -1026.695
where: short stacking energy: -428.774
Base-Backbone interact. energy: -1.375
local terms energy: -411.080072
where:
bonds (distance) C4'-P energy: -79.993
bonds (distance) P-C4' energy: -71.896
flat angles C4'-P-C4' energy: -87.267
flat angles P-C4'-P energy: -55.614
tors. eta vs tors. theta energy: -116.310
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: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1322.733078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.733078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.733078 (E_RNA)
where:
Base-Base interactions energy: -943.241
where: short stacking energy: -404.961
Base-Backbone interact. energy: 1.166
local terms energy: -380.657506
where:
bonds (distance) C4'-P energy: -79.897
bonds (distance) P-C4' energy: -69.644
flat angles C4'-P-C4' energy: -71.281
flat angles P-C4'-P energy: -49.148
tors. eta vs tors. theta energy: -110.687
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: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1279.615528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.615528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.615528 (E_RNA)
where:
Base-Base interactions energy: -896.024
where: short stacking energy: -381.339
Base-Backbone interact. energy: -0.310
local terms energy: -383.280885
where:
bonds (distance) C4'-P energy: -64.359
bonds (distance) P-C4' energy: -76.433
flat angles C4'-P-C4' energy: -80.216
flat angles P-C4'-P energy: -54.417
tors. eta vs tors. theta energy: -107.855
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: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1188.476993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.476993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.476993 (E_RNA)
where:
Base-Base interactions energy: -830.474
where: short stacking energy: -369.287
Base-Backbone interact. energy: -2.080
local terms energy: -355.922764
where:
bonds (distance) C4'-P energy: -55.063
bonds (distance) P-C4' energy: -76.570
flat angles C4'-P-C4' energy: -79.973
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: -101.267
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: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1160.672754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.672754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.672754 (E_RNA)
where:
Base-Base interactions energy: -812.955
where: short stacking energy: -335.137
Base-Backbone interact. energy: -1.265
local terms energy: -346.452989
where:
bonds (distance) C4'-P energy: -65.153
bonds (distance) P-C4' energy: -77.015
flat angles C4'-P-C4' energy: -73.683
flat angles P-C4'-P energy: -44.461
tors. eta vs tors. theta energy: -86.141
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: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1123.299258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.299258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.299258 (E_RNA)
where:
Base-Base interactions energy: -769.327
where: short stacking energy: -343.233
Base-Backbone interact. energy: -1.279
local terms energy: -352.692579
where:
bonds (distance) C4'-P energy: -56.272
bonds (distance) P-C4' energy: -65.055
flat angles C4'-P-C4' energy: -76.491
flat angles P-C4'-P energy: -55.074
tors. eta vs tors. theta energy: -99.801
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: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1088.195352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.195352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.195352 (E_RNA)
where:
Base-Base interactions energy: -746.261
where: short stacking energy: -322.061
Base-Backbone interact. energy: -0.634
local terms energy: -341.299946
where:
bonds (distance) C4'-P energy: -69.116
bonds (distance) P-C4' energy: -69.886
flat angles C4'-P-C4' energy: -77.452
flat angles P-C4'-P energy: -50.118
tors. eta vs tors. theta energy: -74.729
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: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -928.711052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.711052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.711052 (E_RNA)
where:
Base-Base interactions energy: -646.618
where: short stacking energy: -270.462
Base-Backbone interact. energy: -0.505
local terms energy: -281.588066
where:
bonds (distance) C4'-P energy: -60.493
bonds (distance) P-C4' energy: -54.972
flat angles C4'-P-C4' energy: -67.126
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -59.871
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: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -741.216075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.216075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.216075 (E_RNA)
where:
Base-Base interactions energy: -477.902
where: short stacking energy: -213.664
Base-Backbone interact. energy: 1.965
local terms energy: -265.279245
where:
bonds (distance) C4'-P energy: -61.532
bonds (distance) P-C4' energy: -68.630
flat angles C4'-P-C4' energy: -69.650
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -35.702
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: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -535.631614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.631614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.631614 (E_RNA)
where:
Base-Base interactions energy: -301.938
where: short stacking energy: -151.627
Base-Backbone interact. energy: 1.783
local terms energy: -235.476171
where:
bonds (distance) C4'-P energy: -62.963
bonds (distance) P-C4' energy: -69.378
flat angles C4'-P-C4' energy: -45.821
flat angles P-C4'-P energy: -39.956
tors. eta vs tors. theta energy: -17.357
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: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1442.641144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.641144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.641144 (E_RNA)
where:
Base-Base interactions energy: -1023.602
where: short stacking energy: -431.170
Base-Backbone interact. energy: -1.393
local terms energy: -417.645604
where:
bonds (distance) C4'-P energy: -69.928
bonds (distance) P-C4' energy: -77.872
flat angles C4'-P-C4' energy: -94.754
flat angles P-C4'-P energy: -63.016
tors. eta vs tors. theta energy: -112.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1340.323840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.323840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.323840 (E_RNA)
where:
Base-Base interactions energy: -940.267
where: short stacking energy: -395.861
Base-Backbone interact. energy: -1.816
local terms energy: -398.241150
where:
bonds (distance) C4'-P energy: -77.085
bonds (distance) P-C4' energy: -63.227
flat angles C4'-P-C4' energy: -88.222
flat angles P-C4'-P energy: -58.854
tors. eta vs tors. theta energy: -110.853
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: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1267.626140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.626140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.626140 (E_RNA)
where:
Base-Base interactions energy: -894.178
where: short stacking energy: -363.770
Base-Backbone interact. energy: -1.080
local terms energy: -372.368411
where:
bonds (distance) C4'-P energy: -62.776
bonds (distance) P-C4' energy: -72.478
flat angles C4'-P-C4' energy: -84.838
flat angles P-C4'-P energy: -53.243
tors. eta vs tors. theta energy: -99.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1199.077259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.077259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.077259 (E_RNA)
where:
Base-Base interactions energy: -797.562
where: short stacking energy: -370.592
Base-Backbone interact. energy: -1.999
local terms energy: -399.516357
where:
bonds (distance) C4'-P energy: -72.998
bonds (distance) P-C4' energy: -70.093
flat angles C4'-P-C4' energy: -86.206
flat angles P-C4'-P energy: -55.558
tors. eta vs tors. theta energy: -114.662
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: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1151.009984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.009984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.009984 (E_RNA)
where:
Base-Base interactions energy: -803.643
where: short stacking energy: -344.483
Base-Backbone interact. energy: 0.350
local terms energy: -347.717302
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -57.581
flat angles C4'-P-C4' energy: -76.371
flat angles P-C4'-P energy: -57.516
tors. eta vs tors. theta energy: -90.907
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: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1104.922770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.922770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.922770 (E_RNA)
where:
Base-Base interactions energy: -770.163
where: short stacking energy: -312.708
Base-Backbone interact. energy: -3.583
local terms energy: -331.176292
where:
bonds (distance) C4'-P energy: -66.257
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -75.607
flat angles P-C4'-P energy: -52.781
tors. eta vs tors. theta energy: -87.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1077.402663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.402663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.402663 (E_RNA)
where:
Base-Base interactions energy: -752.484
where: short stacking energy: -302.482
Base-Backbone interact. energy: -0.458
local terms energy: -324.460852
where:
bonds (distance) C4'-P energy: -63.573
bonds (distance) P-C4' energy: -80.927
flat angles C4'-P-C4' energy: -62.682
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -78.479
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: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -876.843648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.843648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.843648 (E_RNA)
where:
Base-Base interactions energy: -588.680
where: short stacking energy: -244.678
Base-Backbone interact. energy: 1.503
local terms energy: -289.665890
where:
bonds (distance) C4'-P energy: -70.408
bonds (distance) P-C4' energy: -72.034
flat angles C4'-P-C4' energy: -63.274
flat angles P-C4'-P energy: -39.444
tors. eta vs tors. theta energy: -44.505
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: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -739.101865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.101865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.101865 (E_RNA)
where:
Base-Base interactions energy: -493.324
where: short stacking energy: -226.966
Base-Backbone interact. energy: -0.168
local terms energy: -245.609635
where:
bonds (distance) C4'-P energy: -60.154
bonds (distance) P-C4' energy: -42.571
flat angles C4'-P-C4' energy: -61.167
flat angles P-C4'-P energy: -50.521
tors. eta vs tors. theta energy: -31.196
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: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -600.310644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.310644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.310644 (E_RNA)
where:
Base-Base interactions energy: -363.661
where: short stacking energy: -182.368
Base-Backbone interact. energy: -0.447
local terms energy: -236.201919
where:
bonds (distance) C4'-P energy: -52.963
bonds (distance) P-C4' energy: -59.352
flat angles C4'-P-C4' energy: -52.653
flat angles P-C4'-P energy: -45.680
tors. eta vs tors. theta energy: -25.555
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: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1440.959225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.959225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.959225 (E_RNA)
where:
Base-Base interactions energy: -1036.896
where: short stacking energy: -431.123
Base-Backbone interact. energy: 3.387
local terms energy: -407.450406
where:
bonds (distance) C4'-P energy: -75.443
bonds (distance) P-C4' energy: -69.100
flat angles C4'-P-C4' energy: -90.646
flat angles P-C4'-P energy: -54.546
tors. eta vs tors. theta energy: -117.715
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: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1321.753056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.753056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.753056 (E_RNA)
where:
Base-Base interactions energy: -921.859
where: short stacking energy: -378.902
Base-Backbone interact. energy: -0.842
local terms energy: -399.051539
where:
bonds (distance) C4'-P energy: -70.231
bonds (distance) P-C4' energy: -77.278
flat angles C4'-P-C4' energy: -84.849
flat angles P-C4'-P energy: -59.390
tors. eta vs tors. theta energy: -107.304
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: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1252.326855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.326855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.326855 (E_RNA)
where:
Base-Base interactions energy: -889.821
where: short stacking energy: -358.027
Base-Backbone interact. energy: 0.877
local terms energy: -363.383798
where:
bonds (distance) C4'-P energy: -69.811
bonds (distance) P-C4' energy: -71.905
flat angles C4'-P-C4' energy: -80.235
flat angles P-C4'-P energy: -46.889
tors. eta vs tors. theta energy: -94.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1165.662533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.662533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.662533 (E_RNA)
where:
Base-Base interactions energy: -797.787
where: short stacking energy: -354.234
Base-Backbone interact. energy: -0.992
local terms energy: -366.883158
where:
bonds (distance) C4'-P energy: -68.055
bonds (distance) P-C4' energy: -72.860
flat angles C4'-P-C4' energy: -83.946
flat angles P-C4'-P energy: -40.539
tors. eta vs tors. theta energy: -101.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1147.295483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.295483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.295483 (E_RNA)
where:
Base-Base interactions energy: -799.851
where: short stacking energy: -343.175
Base-Backbone interact. energy: -2.007
local terms energy: -345.436862
where:
bonds (distance) C4'-P energy: -58.781
bonds (distance) P-C4' energy: -76.291
flat angles C4'-P-C4' energy: -70.041
flat angles P-C4'-P energy: -52.599
tors. eta vs tors. theta energy: -87.725
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: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1110.077377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.077377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.077377 (E_RNA)
where:
Base-Base interactions energy: -778.240
where: short stacking energy: -336.192
Base-Backbone interact. energy: -3.255
local terms energy: -328.583172
where:
bonds (distance) C4'-P energy: -52.638
bonds (distance) P-C4' energy: -71.014
flat angles C4'-P-C4' energy: -78.749
flat angles P-C4'-P energy: -35.051
tors. eta vs tors. theta energy: -91.132
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: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1054.855721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.855721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.855721 (E_RNA)
where:
Base-Base interactions energy: -743.410
where: short stacking energy: -319.828
Base-Backbone interact. energy: -1.103
local terms energy: -310.343292
where:
bonds (distance) C4'-P energy: -57.272
bonds (distance) P-C4' energy: -67.680
flat angles C4'-P-C4' energy: -68.093
flat angles P-C4'-P energy: -38.251
tors. eta vs tors. theta energy: -79.046
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: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -891.819364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.819364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.819364 (E_RNA)
where:
Base-Base interactions energy: -597.078
where: short stacking energy: -246.218
Base-Backbone interact. energy: -0.361
local terms energy: -294.380400
where:
bonds (distance) C4'-P energy: -55.540
bonds (distance) P-C4' energy: -58.910
flat angles C4'-P-C4' energy: -76.918
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -54.424
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: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -730.898200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.898200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.898200 (E_RNA)
where:
Base-Base interactions energy: -469.164
where: short stacking energy: -220.309
Base-Backbone interact. energy: -0.350
local terms energy: -261.383914
where:
bonds (distance) C4'-P energy: -68.132
bonds (distance) P-C4' energy: -62.928
flat angles C4'-P-C4' energy: -66.393
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -35.120
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: 126
Temperature: 1.350000
Total energy: -559.814069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.814069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.814069 (E_RNA)
where:
Base-Base interactions energy: -322.166
where: short stacking energy: -166.097
Base-Backbone interact. energy: -0.195
local terms energy: -237.453486
where:
bonds (distance) C4'-P energy: -64.000
bonds (distance) P-C4' energy: -67.904
flat angles C4'-P-C4' energy: -60.341
flat angles P-C4'-P energy: -29.931
tors. eta vs tors. theta energy: -15.277
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: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1467.275231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.275231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.275231 (E_RNA)
where:
Base-Base interactions energy: -1048.966
where: short stacking energy: -434.130
Base-Backbone interact. energy: -0.884
local terms energy: -417.425499
where:
bonds (distance) C4'-P energy: -73.501
bonds (distance) P-C4' energy: -72.129
flat angles C4'-P-C4' energy: -86.621
flat angles P-C4'-P energy: -66.451
tors. eta vs tors. theta energy: -118.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1342.025359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.025359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.025359 (E_RNA)
where:
Base-Base interactions energy: -943.222
where: short stacking energy: -411.936
Base-Backbone interact. energy: 2.370
local terms energy: -401.172901
where:
bonds (distance) C4'-P energy: -74.998
bonds (distance) P-C4' energy: -64.667
flat angles C4'-P-C4' energy: -84.241
flat angles P-C4'-P energy: -58.713
tors. eta vs tors. theta energy: -118.554
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: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1259.781963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.781963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.781963 (E_RNA)
where:
Base-Base interactions energy: -887.016
where: short stacking energy: -373.222
Base-Backbone interact. energy: -1.514
local terms energy: -371.252023
where:
bonds (distance) C4'-P energy: -56.484
bonds (distance) P-C4' energy: -71.024
flat angles C4'-P-C4' energy: -88.741
flat angles P-C4'-P energy: -53.727
tors. eta vs tors. theta energy: -101.277
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: 127
Temperature: 1.050000
Total energy: -1189.919536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.919536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.919536 (E_RNA)
where:
Base-Base interactions energy: -838.047
where: short stacking energy: -369.088
Base-Backbone interact. energy: -1.913
local terms energy: -349.959524
where:
bonds (distance) C4'-P energy: -66.158
bonds (distance) P-C4' energy: -71.458
flat angles C4'-P-C4' energy: -65.393
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: -103.566
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: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1175.896441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.896441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.896441 (E_RNA)
where:
Base-Base interactions energy: -834.881
where: short stacking energy: -360.795
Base-Backbone interact. energy: -0.308
local terms energy: -340.706835
where:
bonds (distance) C4'-P energy: -56.832
bonds (distance) P-C4' energy: -71.772
flat angles C4'-P-C4' energy: -79.238
flat angles P-C4'-P energy: -47.392
tors. eta vs tors. theta energy: -85.472
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: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1101.337562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.337562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.337562 (E_RNA)
where:
Base-Base interactions energy: -772.629
where: short stacking energy: -335.983
Base-Backbone interact. energy: 1.007
local terms energy: -329.715357
where:
bonds (distance) C4'-P energy: -54.004
bonds (distance) P-C4' energy: -68.451
flat angles C4'-P-C4' energy: -57.235
flat angles P-C4'-P energy: -56.665
tors. eta vs tors. theta energy: -93.360
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: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1069.455485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.455485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.455485 (E_RNA)
where:
Base-Base interactions energy: -749.208
where: short stacking energy: -326.570
Base-Backbone interact. energy: -1.390
local terms energy: -318.857020
where:
bonds (distance) C4'-P energy: -72.261
bonds (distance) P-C4' energy: -41.366
flat angles C4'-P-C4' energy: -76.253
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -87.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -856.092437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.092437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.092437 (E_RNA)
where:
Base-Base interactions energy: -561.084
where: short stacking energy: -241.177
Base-Backbone interact. energy: 0.533
local terms energy: -295.541140
where:
bonds (distance) C4'-P energy: -66.144
bonds (distance) P-C4' energy: -65.731
flat angles C4'-P-C4' energy: -78.048
flat angles P-C4'-P energy: -32.853
tors. eta vs tors. theta energy: -52.765
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: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -713.951905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.951905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.951905 (E_RNA)
where:
Base-Base interactions energy: -444.369
where: short stacking energy: -201.026
Base-Backbone interact. energy: 1.299
local terms energy: -270.882206
where:
bonds (distance) C4'-P energy: -63.168
bonds (distance) P-C4' energy: -62.762
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -52.004
tors. eta vs tors. theta energy: -35.701
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: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -568.196535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.196535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.196535 (E_RNA)
where:
Base-Base interactions energy: -332.822
where: short stacking energy: -155.824
Base-Backbone interact. energy: -0.934
local terms energy: -234.440899
where:
bonds (distance) C4'-P energy: -70.391
bonds (distance) P-C4' energy: -59.056
flat angles C4'-P-C4' energy: -55.877
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -12.346
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: 128
Temperature: 0.900000
Total energy: -1445.362220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.362220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.362220 (E_RNA)
where:
Base-Base interactions energy: -1031.397
where: short stacking energy: -427.958
Base-Backbone interact. energy: -1.403
local terms energy: -412.561862
where:
bonds (distance) C4'-P energy: -75.778
bonds (distance) P-C4' energy: -72.676
flat angles C4'-P-C4' energy: -85.619
flat angles P-C4'-P energy: -60.777
tors. eta vs tors. theta energy: -117.712
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: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1340.530438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.530438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.530438 (E_RNA)
where:
Base-Base interactions energy: -936.364
where: short stacking energy: -399.788
Base-Backbone interact. energy: 0.331
local terms energy: -404.497188
where:
bonds (distance) C4'-P energy: -70.317
bonds (distance) P-C4' energy: -80.739
flat angles C4'-P-C4' energy: -81.484
flat angles P-C4'-P energy: -57.548
tors. eta vs tors. theta energy: -114.410
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: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1246.044007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.044007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.044007 (E_RNA)
where:
Base-Base interactions energy: -876.560
where: short stacking energy: -386.611
Base-Backbone interact. energy: 1.097
local terms energy: -370.580514
where:
bonds (distance) C4'-P energy: -69.384
bonds (distance) P-C4' energy: -68.378
flat angles C4'-P-C4' energy: -84.804
flat angles P-C4'-P energy: -48.319
tors. eta vs tors. theta energy: -99.696
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: 128
Temperature: 1.050000
Total energy: -1170.146732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.146732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.146732 (E_RNA)
where:
Base-Base interactions energy: -819.025
where: short stacking energy: -361.977
Base-Backbone interact. energy: -1.188
local terms energy: -349.933457
where:
bonds (distance) C4'-P energy: -67.742
bonds (distance) P-C4' energy: -61.561
flat angles C4'-P-C4' energy: -77.338
flat angles P-C4'-P energy: -46.713
tors. eta vs tors. theta energy: -96.580
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: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1155.949766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.949766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.949766 (E_RNA)
where:
Base-Base interactions energy: -795.265
where: short stacking energy: -313.702
Base-Backbone interact. energy: 0.637
local terms energy: -361.322398
where:
bonds (distance) C4'-P energy: -69.906
bonds (distance) P-C4' energy: -63.218
flat angles C4'-P-C4' energy: -78.140
flat angles P-C4'-P energy: -57.369
tors. eta vs tors. theta energy: -92.689
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: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1125.431341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.431341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.431341 (E_RNA)
where:
Base-Base interactions energy: -779.567
where: short stacking energy: -330.879
Base-Backbone interact. energy: -1.127
local terms energy: -344.737102
where:
bonds (distance) C4'-P energy: -65.855
bonds (distance) P-C4' energy: -67.810
flat angles C4'-P-C4' energy: -76.614
flat angles P-C4'-P energy: -44.064
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: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1068.013514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.013514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.013514 (E_RNA)
where:
Base-Base interactions energy: -749.214
where: short stacking energy: -318.085
Base-Backbone interact. energy: -1.660
local terms energy: -317.139413
where:
bonds (distance) C4'-P energy: -67.829
bonds (distance) P-C4' energy: -70.395
flat angles C4'-P-C4' energy: -61.840
flat angles P-C4'-P energy: -35.180
tors. eta vs tors. theta energy: -81.895
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: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -879.254638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.254638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.254638 (E_RNA)
where:
Base-Base interactions energy: -599.625
where: short stacking energy: -236.868
Base-Backbone interact. energy: -1.103
local terms energy: -278.526235
where:
bonds (distance) C4'-P energy: -61.665
bonds (distance) P-C4' energy: -67.367
flat angles C4'-P-C4' energy: -73.173
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: -46.844
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: 128
Temperature: 1.300000
Total energy: -752.679195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.679195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.679195 (E_RNA)
where:
Base-Base interactions energy: -483.474
where: short stacking energy: -213.995
Base-Backbone interact. energy: 1.954
local terms energy: -271.158881
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -58.718
flat angles C4'-P-C4' energy: -61.376
flat angles P-C4'-P energy: -44.901
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: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -553.608022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.608022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.608022 (E_RNA)
where:
Base-Base interactions energy: -325.686
where: short stacking energy: -170.787
Base-Backbone interact. energy: -1.275
local terms energy: -226.646992
where:
bonds (distance) C4'-P energy: -52.380
bonds (distance) P-C4' energy: -57.330
flat angles C4'-P-C4' energy: -51.549
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: -26.251
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: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1446.839550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.839550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.839550 (E_RNA)
where:
Base-Base interactions energy: -1037.271
where: short stacking energy: -431.095
Base-Backbone interact. energy: -1.031
local terms energy: -408.537612
where:
bonds (distance) C4'-P energy: -77.107
bonds (distance) P-C4' energy: -73.762
flat angles C4'-P-C4' energy: -85.725
flat angles P-C4'-P energy: -53.854
tors. eta vs tors. theta energy: -118.090
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: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1348.320108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.320108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.320108 (E_RNA)
where:
Base-Base interactions energy: -943.833
where: short stacking energy: -396.417
Base-Backbone interact. energy: -1.619
local terms energy: -402.867974
where:
bonds (distance) C4'-P energy: -76.866
bonds (distance) P-C4' energy: -72.063
flat angles C4'-P-C4' energy: -84.899
flat angles P-C4'-P energy: -52.631
tors. eta vs tors. theta energy: -116.409
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: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1253.583471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.583471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.583471 (E_RNA)
where:
Base-Base interactions energy: -870.109
where: short stacking energy: -385.802
Base-Backbone interact. energy: -1.707
local terms energy: -381.767462
where:
bonds (distance) C4'-P energy: -75.228
bonds (distance) P-C4' energy: -77.251
flat angles C4'-P-C4' energy: -81.360
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -96.733
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: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1195.061840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.061840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.061840 (E_RNA)
where:
Base-Base interactions energy: -830.519
where: short stacking energy: -346.699
Base-Backbone interact. energy: -0.726
local terms energy: -363.816740
where:
bonds (distance) C4'-P energy: -57.732
bonds (distance) P-C4' energy: -73.965
flat angles C4'-P-C4' energy: -82.289
flat angles P-C4'-P energy: -56.605
tors. eta vs tors. theta energy: -93.226
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: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1161.268691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.268691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.268691 (E_RNA)
where:
Base-Base interactions energy: -809.821
where: short stacking energy: -334.060
Base-Backbone interact. energy: -1.551
local terms energy: -349.896935
where:
bonds (distance) C4'-P energy: -74.435
bonds (distance) P-C4' energy: -68.624
flat angles C4'-P-C4' energy: -77.536
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -88.133
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: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1107.842840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.842840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.842840 (E_RNA)
where:
Base-Base interactions energy: -764.977
where: short stacking energy: -315.199
Base-Backbone interact. energy: 2.114
local terms energy: -344.979824
where:
bonds (distance) C4'-P energy: -71.844
bonds (distance) P-C4' energy: -62.639
flat angles C4'-P-C4' energy: -73.311
flat angles P-C4'-P energy: -51.375
tors. eta vs tors. theta energy: -85.811
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: 129
Temperature: 1.200000
Total energy: -1011.250105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.250105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.250105 (E_RNA)
where:
Base-Base interactions energy: -695.690
where: short stacking energy: -293.836
Base-Backbone interact. energy: -1.290
local terms energy: -314.269417
where:
bonds (distance) C4'-P energy: -70.705
bonds (distance) P-C4' energy: -37.635
flat angles C4'-P-C4' energy: -74.325
flat angles P-C4'-P energy: -54.834
tors. eta vs tors. theta energy: -76.770
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: 8, replica: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -815.255165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.255165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.255165 (E_RNA)
where:
Base-Base interactions energy: -527.019
where: short stacking energy: -233.150
Base-Backbone interact. energy: 0.915
local terms energy: -289.150935
where:
bonds (distance) C4'-P energy: -62.656
bonds (distance) P-C4' energy: -73.374
flat angles C4'-P-C4' energy: -63.670
flat angles P-C4'-P energy: -40.496
tors. eta vs tors. theta energy: -48.955
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: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -827.829528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.829528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.829528 (E_RNA)
where:
Base-Base interactions energy: -550.820
where: short stacking energy: -238.250
Base-Backbone interact. energy: -1.310
local terms energy: -275.699867
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -68.140
flat angles C4'-P-C4' energy: -60.858
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: -56.727
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: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -528.415654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.415654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.415654 (E_RNA)
where:
Base-Base interactions energy: -303.134
where: short stacking energy: -161.691
Base-Backbone interact. energy: -2.663
local terms energy: -222.618907
where:
bonds (distance) C4'-P energy: -55.139
bonds (distance) P-C4' energy: -64.265
flat angles C4'-P-C4' energy: -57.398
flat angles P-C4'-P energy: -36.106
tors. eta vs tors. theta energy: -9.710
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: 130
Temperature: 0.900000
Total energy: -1437.523148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.523148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.523148 (E_RNA)
where:
Base-Base interactions energy: -1026.517
where: short stacking energy: -413.790
Base-Backbone interact. energy: -1.145
local terms energy: -409.861787
where:
bonds (distance) C4'-P energy: -73.670
bonds (distance) P-C4' energy: -76.572
flat angles C4'-P-C4' energy: -86.734
flat angles P-C4'-P energy: -61.214
tors. eta vs tors. theta energy: -111.672
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: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1342.007638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.007638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.007638 (E_RNA)
where:
Base-Base interactions energy: -945.914
where: short stacking energy: -405.117
Base-Backbone interact. energy: -0.332
local terms energy: -395.761766
where:
bonds (distance) C4'-P energy: -70.441
bonds (distance) P-C4' energy: -70.869
flat angles C4'-P-C4' energy: -85.721
flat angles P-C4'-P energy: -61.967
tors. eta vs tors. theta energy: -106.763
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: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1253.184538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.184538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.184538 (E_RNA)
where:
Base-Base interactions energy: -871.271
where: short stacking energy: -365.767
Base-Backbone interact. energy: -1.933
local terms energy: -379.981251
where:
bonds (distance) C4'-P energy: -78.577
bonds (distance) P-C4' energy: -72.109
flat angles C4'-P-C4' energy: -81.376
flat angles P-C4'-P energy: -54.932
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: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1188.462102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.462102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.462102 (E_RNA)
where:
Base-Base interactions energy: -805.980
where: short stacking energy: -370.483
Base-Backbone interact. energy: 0.344
local terms energy: -382.826698
where:
bonds (distance) C4'-P energy: -78.553
bonds (distance) P-C4' energy: -66.232
flat angles C4'-P-C4' energy: -84.498
flat angles P-C4'-P energy: -50.054
tors. eta vs tors. theta energy: -103.489
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: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1139.518506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.518506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.518506 (E_RNA)
where:
Base-Base interactions energy: -792.936
where: short stacking energy: -327.313
Base-Backbone interact. energy: -1.181
local terms energy: -345.401901
where:
bonds (distance) C4'-P energy: -73.356
bonds (distance) P-C4' energy: -76.259
flat angles C4'-P-C4' energy: -73.817
flat angles P-C4'-P energy: -33.883
tors. eta vs tors. theta energy: -88.087
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: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1159.964518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.964518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.964518 (E_RNA)
where:
Base-Base interactions energy: -777.014
where: short stacking energy: -340.237
Base-Backbone interact. energy: -1.006
local terms energy: -381.944479
where:
bonds (distance) C4'-P energy: -67.859
bonds (distance) P-C4' energy: -84.020
flat angles C4'-P-C4' energy: -75.644
flat angles P-C4'-P energy: -60.837
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: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1018.054313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.054313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.054313 (E_RNA)
where:
Base-Base interactions energy: -715.932
where: short stacking energy: -302.893
Base-Backbone interact. energy: -0.989
local terms energy: -301.133648
where:
bonds (distance) C4'-P energy: -49.102
bonds (distance) P-C4' energy: -59.102
flat angles C4'-P-C4' energy: -76.242
flat angles P-C4'-P energy: -39.831
tors. eta vs tors. theta energy: -76.856
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: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -921.822115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.822115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.822115 (E_RNA)
where:
Base-Base interactions energy: -633.029
where: short stacking energy: -273.496
Base-Backbone interact. energy: -3.066
local terms energy: -285.727185
where:
bonds (distance) C4'-P energy: -58.951
bonds (distance) P-C4' energy: -54.783
flat angles C4'-P-C4' energy: -66.748
flat angles P-C4'-P energy: -40.413
tors. eta vs tors. theta energy: -64.832
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: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -880.057855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.057855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.057855 (E_RNA)
where:
Base-Base interactions energy: -595.452
where: short stacking energy: -236.178
Base-Backbone interact. energy: -1.090
local terms energy: -283.515731
where:
bonds (distance) C4'-P energy: -62.180
bonds (distance) P-C4' energy: -67.756
flat angles C4'-P-C4' energy: -65.434
flat angles P-C4'-P energy: -39.836
tors. eta vs tors. theta energy: -48.310
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: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -524.703586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.703586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.703586 (E_RNA)
where:
Base-Base interactions energy: -309.243
where: short stacking energy: -163.204
Base-Backbone interact. energy: 0.062
local terms energy: -215.523142
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -51.586
flat angles C4'-P-C4' energy: -52.249
flat angles P-C4'-P energy: -42.012
tors. eta vs tors. theta energy: -23.513
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: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1433.865811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.865811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.865811 (E_RNA)
where:
Base-Base interactions energy: -1033.472
where: short stacking energy: -415.349
Base-Backbone interact. energy: -1.181
local terms energy: -399.212576
where:
bonds (distance) C4'-P energy: -77.217
bonds (distance) P-C4' energy: -71.448
flat angles C4'-P-C4' energy: -79.305
flat angles P-C4'-P energy: -57.022
tors. eta vs tors. theta energy: -114.221
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: 131
Temperature: 0.950000
Total energy: -1336.260529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.260529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.260529 (E_RNA)
where:
Base-Base interactions energy: -960.571
where: short stacking energy: -399.262
Base-Backbone interact. energy: -0.391
local terms energy: -375.297893
where:
bonds (distance) C4'-P energy: -61.699
bonds (distance) P-C4' energy: -68.236
flat angles C4'-P-C4' energy: -79.352
flat angles P-C4'-P energy: -56.700
tors. eta vs tors. theta energy: -109.311
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: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1242.640265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.640265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.640265 (E_RNA)
where:
Base-Base interactions energy: -885.014
where: short stacking energy: -374.299
Base-Backbone interact. energy: -1.135
local terms energy: -356.490974
where:
bonds (distance) C4'-P energy: -63.104
bonds (distance) P-C4' energy: -67.215
flat angles C4'-P-C4' energy: -74.815
flat angles P-C4'-P energy: -58.961
tors. eta vs tors. theta energy: -92.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1161.373532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.373532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.373532 (E_RNA)
where:
Base-Base interactions energy: -805.048
where: short stacking energy: -333.857
Base-Backbone interact. energy: -3.131
local terms energy: -353.194831
where:
bonds (distance) C4'-P energy: -65.381
bonds (distance) P-C4' energy: -69.687
flat angles C4'-P-C4' energy: -72.264
flat angles P-C4'-P energy: -51.833
tors. eta vs tors. theta energy: -94.031
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: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1140.872999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.872999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.872999 (E_RNA)
where:
Base-Base interactions energy: -772.597
where: short stacking energy: -349.232
Base-Backbone interact. energy: -0.601
local terms energy: -367.675415
where:
bonds (distance) C4'-P energy: -61.558
bonds (distance) P-C4' energy: -76.880
flat angles C4'-P-C4' energy: -75.467
flat angles P-C4'-P energy: -53.688
tors. eta vs tors. theta energy: -100.082
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: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1118.860214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.860214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.860214 (E_RNA)
where:
Base-Base interactions energy: -772.015
where: short stacking energy: -330.579
Base-Backbone interact. energy: 1.075
local terms energy: -347.920178
where:
bonds (distance) C4'-P energy: -61.585
bonds (distance) P-C4' energy: -68.585
flat angles C4'-P-C4' energy: -71.900
flat angles P-C4'-P energy: -55.544
tors. eta vs tors. theta energy: -90.306
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: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1036.003885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.003885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.003885 (E_RNA)
where:
Base-Base interactions energy: -717.055
where: short stacking energy: -313.109
Base-Backbone interact. energy: -1.531
local terms energy: -317.417524
where:
bonds (distance) C4'-P energy: -67.701
bonds (distance) P-C4' energy: -59.001
flat angles C4'-P-C4' energy: -61.181
flat angles P-C4'-P energy: -50.795
tors. eta vs tors. theta energy: -78.739
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: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -881.130342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.130342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.130342 (E_RNA)
where:
Base-Base interactions energy: -603.219
where: short stacking energy: -258.996
Base-Backbone interact. energy: -1.435
local terms energy: -276.476407
where:
bonds (distance) C4'-P energy: -48.744
bonds (distance) P-C4' energy: -59.364
flat angles C4'-P-C4' energy: -63.028
flat angles P-C4'-P energy: -42.215
tors. eta vs tors. theta energy: -63.126
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: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -828.850022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.850022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.850022 (E_RNA)
where:
Base-Base interactions energy: -547.295
where: short stacking energy: -246.299
Base-Backbone interact. energy: 1.978
local terms energy: -283.533241
where:
bonds (distance) C4'-P energy: -55.355
bonds (distance) P-C4' energy: -70.620
flat angles C4'-P-C4' energy: -59.712
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -56.891
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: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -528.723217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.723217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.723217 (E_RNA)
where:
Base-Base interactions energy: -308.604
where: short stacking energy: -173.912
Base-Backbone interact. energy: -0.850
local terms energy: -219.269076
where:
bonds (distance) C4'-P energy: -57.015
bonds (distance) P-C4' energy: -47.639
flat angles C4'-P-C4' energy: -57.518
flat angles P-C4'-P energy: -35.241
tors. eta vs tors. theta energy: -21.856
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: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1432.570338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.570338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.570338 (E_RNA)
where:
Base-Base interactions energy: -1036.219
where: short stacking energy: -429.137
Base-Backbone interact. energy: -2.171
local terms energy: -394.180949
where:
bonds (distance) C4'-P energy: -73.722
bonds (distance) P-C4' energy: -78.955
flat angles C4'-P-C4' energy: -75.392
flat angles P-C4'-P energy: -51.543
tors. eta vs tors. theta energy: -114.569
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: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1362.802815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.802815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.802815 (E_RNA)
where:
Base-Base interactions energy: -944.304
where: short stacking energy: -385.285
Base-Backbone interact. energy: 0.379
local terms energy: -418.877411
where:
bonds (distance) C4'-P energy: -83.709
bonds (distance) P-C4' energy: -83.011
flat angles C4'-P-C4' energy: -84.870
flat angles P-C4'-P energy: -64.897
tors. eta vs tors. theta energy: -102.391
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: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1242.160150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.160150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.160150 (E_RNA)
where:
Base-Base interactions energy: -866.968
where: short stacking energy: -379.247
Base-Backbone interact. energy: -2.269
local terms energy: -372.922809
where:
bonds (distance) C4'-P energy: -68.524
bonds (distance) P-C4' energy: -65.679
flat angles C4'-P-C4' energy: -84.182
flat angles P-C4'-P energy: -53.681
tors. eta vs tors. theta energy: -100.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1185.945111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.945111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.945111 (E_RNA)
where:
Base-Base interactions energy: -818.936
where: short stacking energy: -368.464
Base-Backbone interact. energy: 0.413
local terms energy: -367.421444
where:
bonds (distance) C4'-P energy: -76.764
bonds (distance) P-C4' energy: -68.565
flat angles C4'-P-C4' energy: -76.161
flat angles P-C4'-P energy: -43.711
tors. eta vs tors. theta energy: -102.221
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: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1142.799806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.799806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.799806 (E_RNA)
where:
Base-Base interactions energy: -799.162
where: short stacking energy: -367.951
Base-Backbone interact. energy: -0.123
local terms energy: -343.514355
where:
bonds (distance) C4'-P energy: -61.272
bonds (distance) P-C4' energy: -58.288
flat angles C4'-P-C4' energy: -73.067
flat angles P-C4'-P energy: -49.527
tors. eta vs tors. theta energy: -101.361
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: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1123.409386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.409386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.409386 (E_RNA)
where:
Base-Base interactions energy: -787.075
where: short stacking energy: -346.673
Base-Backbone interact. energy: -1.526
local terms energy: -334.808556
where:
bonds (distance) C4'-P energy: -63.029
bonds (distance) P-C4' energy: -72.115
flat angles C4'-P-C4' energy: -77.673
flat angles P-C4'-P energy: -33.085
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: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1024.593127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.593127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.593127 (E_RNA)
where:
Base-Base interactions energy: -715.556
where: short stacking energy: -314.735
Base-Backbone interact. energy: 0.360
local terms energy: -309.397409
where:
bonds (distance) C4'-P energy: -58.597
bonds (distance) P-C4' energy: -59.473
flat angles C4'-P-C4' energy: -72.778
flat angles P-C4'-P energy: -43.818
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: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -832.540569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.540569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.540569 (E_RNA)
where:
Base-Base interactions energy: -547.707
where: short stacking energy: -235.336
Base-Backbone interact. energy: -1.447
local terms energy: -283.386681
where:
bonds (distance) C4'-P energy: -62.997
bonds (distance) P-C4' energy: -59.635
flat angles C4'-P-C4' energy: -73.458
flat angles P-C4'-P energy: -36.341
tors. eta vs tors. theta energy: -50.955
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: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -843.318521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.318521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.318521 (E_RNA)
where:
Base-Base interactions energy: -556.925
where: short stacking energy: -233.448
Base-Backbone interact. energy: -1.709
local terms energy: -284.683902
where:
bonds (distance) C4'-P energy: -57.778
bonds (distance) P-C4' energy: -62.644
flat angles C4'-P-C4' energy: -66.539
flat angles P-C4'-P energy: -46.441
tors. eta vs tors. theta energy: -51.282
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: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -551.054553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.054553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.054553 (E_RNA)
where:
Base-Base interactions energy: -312.796
where: short stacking energy: -157.787
Base-Backbone interact. energy: -1.497
local terms energy: -236.761409
where:
bonds (distance) C4'-P energy: -65.437
bonds (distance) P-C4' energy: -67.418
flat angles C4'-P-C4' energy: -65.905
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -13.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1435.839481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.839481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.839481 (E_RNA)
where:
Base-Base interactions energy: -1023.136
where: short stacking energy: -419.168
Base-Backbone interact. energy: -2.797
local terms energy: -409.906720
where:
bonds (distance) C4'-P energy: -72.435
bonds (distance) P-C4' energy: -80.662
flat angles C4'-P-C4' energy: -84.451
flat angles P-C4'-P energy: -58.848
tors. eta vs tors. theta energy: -113.510
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: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1354.283607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.283607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.283607 (E_RNA)
where:
Base-Base interactions energy: -954.901
where: short stacking energy: -414.925
Base-Backbone interact. energy: -1.248
local terms energy: -398.134212
where:
bonds (distance) C4'-P energy: -77.127
bonds (distance) P-C4' energy: -62.897
flat angles C4'-P-C4' energy: -84.770
flat angles P-C4'-P energy: -57.521
tors. eta vs tors. theta energy: -115.819
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: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1232.947283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.947283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.947283 (E_RNA)
where:
Base-Base interactions energy: -869.800
where: short stacking energy: -379.268
Base-Backbone interact. energy: -1.323
local terms energy: -361.824018
where:
bonds (distance) C4'-P energy: -66.499
bonds (distance) P-C4' energy: -70.373
flat angles C4'-P-C4' energy: -79.787
flat angles P-C4'-P energy: -42.639
tors. eta vs tors. theta energy: -102.526
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: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1180.343488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.343488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.343488 (E_RNA)
where:
Base-Base interactions energy: -812.701
where: short stacking energy: -355.815
Base-Backbone interact. energy: -2.375
local terms energy: -365.267893
where:
bonds (distance) C4'-P energy: -71.206
bonds (distance) P-C4' energy: -73.245
flat angles C4'-P-C4' energy: -73.380
flat angles P-C4'-P energy: -52.563
tors. eta vs tors. theta energy: -94.873
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: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1138.784551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.784551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.784551 (E_RNA)
where:
Base-Base interactions energy: -785.297
where: short stacking energy: -346.031
Base-Backbone interact. energy: 4.335
local terms energy: -357.821883
where:
bonds (distance) C4'-P energy: -62.338
bonds (distance) P-C4' energy: -65.718
flat angles C4'-P-C4' energy: -74.968
flat angles P-C4'-P energy: -54.995
tors. eta vs tors. theta energy: -99.804
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: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1155.534767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.534767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.534767 (E_RNA)
where:
Base-Base interactions energy: -804.738
where: short stacking energy: -355.421
Base-Backbone interact. energy: -0.934
local terms energy: -349.862917
where:
bonds (distance) C4'-P energy: -56.660
bonds (distance) P-C4' energy: -65.570
flat angles C4'-P-C4' energy: -76.021
flat angles P-C4'-P energy: -52.898
tors. eta vs tors. theta energy: -98.714
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: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -970.906158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.906158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.906158 (E_RNA)
where:
Base-Base interactions energy: -663.478
where: short stacking energy: -285.953
Base-Backbone interact. energy: -0.454
local terms energy: -306.973339
where:
bonds (distance) C4'-P energy: -65.972
bonds (distance) P-C4' energy: -63.705
flat angles C4'-P-C4' energy: -74.248
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -63.872
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: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -892.822635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.822635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.822635 (E_RNA)
where:
Base-Base interactions energy: -612.106
where: short stacking energy: -277.285
Base-Backbone interact. energy: 0.893
local terms energy: -281.609912
where:
bonds (distance) C4'-P energy: -57.752
bonds (distance) P-C4' energy: -62.941
flat angles C4'-P-C4' energy: -63.940
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -63.099
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: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -796.689036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.689036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.689036 (E_RNA)
where:
Base-Base interactions energy: -538.111
where: short stacking energy: -236.838
Base-Backbone interact. energy: -1.840
local terms energy: -256.738280
where:
bonds (distance) C4'-P energy: -52.869
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -60.190
flat angles P-C4'-P energy: -55.910
tors. eta vs tors. theta energy: -40.774
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: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -578.250836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.250836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.250836 (E_RNA)
where:
Base-Base interactions energy: -355.391
where: short stacking energy: -176.296
Base-Backbone interact. energy: -1.656
local terms energy: -221.203592
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -57.360
flat angles C4'-P-C4' energy: -55.081
flat angles P-C4'-P energy: -33.659
tors. eta vs tors. theta energy: -17.029
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: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1439.085791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.085791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.085791 (E_RNA)
where:
Base-Base interactions energy: -1029.625
where: short stacking energy: -419.118
Base-Backbone interact. energy: 2.499
local terms energy: -411.960111
where:
bonds (distance) C4'-P energy: -75.388
bonds (distance) P-C4' energy: -78.990
flat angles C4'-P-C4' energy: -92.066
flat angles P-C4'-P energy: -54.267
tors. eta vs tors. theta energy: -111.250
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: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1345.302497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.302497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.302497 (E_RNA)
where:
Base-Base interactions energy: -954.746
where: short stacking energy: -409.958
Base-Backbone interact. energy: 1.276
local terms energy: -391.832558
where:
bonds (distance) C4'-P energy: -69.594
bonds (distance) P-C4' energy: -76.238
flat angles C4'-P-C4' energy: -88.748
flat angles P-C4'-P energy: -52.268
tors. eta vs tors. theta energy: -104.984
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: 134
Temperature: 1.000000
Total energy: -1214.285227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.285227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.285227 (E_RNA)
where:
Base-Base interactions energy: -848.417
where: short stacking energy: -357.302
Base-Backbone interact. energy: -0.667
local terms energy: -365.201363
where:
bonds (distance) C4'-P energy: -70.914
bonds (distance) P-C4' energy: -77.000
flat angles C4'-P-C4' energy: -80.308
flat angles P-C4'-P energy: -48.907
tors. eta vs tors. theta energy: -88.072
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: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1206.720116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.720116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.720116 (E_RNA)
where:
Base-Base interactions energy: -844.658
where: short stacking energy: -348.334
Base-Backbone interact. energy: 3.051
local terms energy: -365.112308
where:
bonds (distance) C4'-P energy: -65.769
bonds (distance) P-C4' energy: -80.083
flat angles C4'-P-C4' energy: -77.414
flat angles P-C4'-P energy: -52.886
tors. eta vs tors. theta energy: -88.960
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: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1172.885304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.885304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.885304 (E_RNA)
where:
Base-Base interactions energy: -817.788
where: short stacking energy: -355.690
Base-Backbone interact. energy: -0.609
local terms energy: -354.488779
where:
bonds (distance) C4'-P energy: -55.858
bonds (distance) P-C4' energy: -71.468
flat angles C4'-P-C4' energy: -77.564
flat angles P-C4'-P energy: -45.096
tors. eta vs tors. theta energy: -104.503
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: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1113.353642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.353642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.353642 (E_RNA)
where:
Base-Base interactions energy: -773.653
where: short stacking energy: -327.435
Base-Backbone interact. energy: 0.550
local terms energy: -340.250005
where:
bonds (distance) C4'-P energy: -66.914
bonds (distance) P-C4' energy: -66.057
flat angles C4'-P-C4' energy: -66.859
flat angles P-C4'-P energy: -47.098
tors. eta vs tors. theta energy: -93.322
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: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1012.387444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.387444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.387444 (E_RNA)
where:
Base-Base interactions energy: -696.082
where: short stacking energy: -292.023
Base-Backbone interact. energy: -2.353
local terms energy: -313.952466
where:
bonds (distance) C4'-P energy: -61.561
bonds (distance) P-C4' energy: -72.669
flat angles C4'-P-C4' energy: -70.509
flat angles P-C4'-P energy: -41.597
tors. eta vs tors. theta energy: -67.617
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: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -870.684433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.684433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.684433 (E_RNA)
where:
Base-Base interactions energy: -571.428
where: short stacking energy: -253.422
Base-Backbone interact. energy: -0.563
local terms energy: -298.693824
where:
bonds (distance) C4'-P energy: -59.687
bonds (distance) P-C4' energy: -60.776
flat angles C4'-P-C4' energy: -77.730
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -60.674
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: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -703.766702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.766702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.766702 (E_RNA)
where:
Base-Base interactions energy: -452.717
where: short stacking energy: -210.844
Base-Backbone interact. energy: 1.629
local terms energy: -252.678708
where:
bonds (distance) C4'-P energy: -52.124
bonds (distance) P-C4' energy: -55.063
flat angles C4'-P-C4' energy: -67.187
flat angles P-C4'-P energy: -38.433
tors. eta vs tors. theta energy: -39.872
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: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -602.165004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.165004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.165004 (E_RNA)
where:
Base-Base interactions energy: -369.200
where: short stacking energy: -180.352
Base-Backbone interact. energy: 3.976
local terms energy: -236.940489
where:
bonds (distance) C4'-P energy: -57.355
bonds (distance) P-C4' energy: -56.951
flat angles C4'-P-C4' energy: -58.453
flat angles P-C4'-P energy: -39.977
tors. eta vs tors. theta energy: -24.204
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: 135
Temperature: 0.900000
Total energy: -1427.949322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.949322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.949322 (E_RNA)
where:
Base-Base interactions energy: -1033.821
where: short stacking energy: -412.109
Base-Backbone interact. energy: -0.176
local terms energy: -393.952158
where:
bonds (distance) C4'-P energy: -67.500
bonds (distance) P-C4' energy: -65.228
flat angles C4'-P-C4' energy: -88.079
flat angles P-C4'-P energy: -61.181
tors. eta vs tors. theta energy: -111.964
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: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1338.540249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.540249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.540249 (E_RNA)
where:
Base-Base interactions energy: -934.443
where: short stacking energy: -396.140
Base-Backbone interact. energy: -1.798
local terms energy: -402.299333
where:
bonds (distance) C4'-P energy: -70.898
bonds (distance) P-C4' energy: -84.942
flat angles C4'-P-C4' energy: -82.991
flat angles P-C4'-P energy: -57.302
tors. eta vs tors. theta energy: -106.166
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1208.924164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.924164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.924164 (E_RNA)
where:
Base-Base interactions energy: -828.540
where: short stacking energy: -350.806
Base-Backbone interact. energy: -2.236
local terms energy: -378.148450
where:
bonds (distance) C4'-P energy: -75.320
bonds (distance) P-C4' energy: -72.887
flat angles C4'-P-C4' energy: -79.515
flat angles P-C4'-P energy: -57.819
tors. eta vs tors. theta energy: -92.608
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: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1201.065832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.065832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.065832 (E_RNA)
where:
Base-Base interactions energy: -849.228
where: short stacking energy: -362.604
Base-Backbone interact. energy: 1.065
local terms energy: -352.902865
where:
bonds (distance) C4'-P energy: -73.007
bonds (distance) P-C4' energy: -60.878
flat angles C4'-P-C4' energy: -71.467
flat angles P-C4'-P energy: -47.326
tors. eta vs tors. theta energy: -100.225
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: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1158.973755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.973755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.973755 (E_RNA)
where:
Base-Base interactions energy: -799.969
where: short stacking energy: -347.938
Base-Backbone interact. energy: 1.825
local terms energy: -360.829416
where:
bonds (distance) C4'-P energy: -63.059
bonds (distance) P-C4' energy: -72.869
flat angles C4'-P-C4' energy: -75.734
flat angles P-C4'-P energy: -56.283
tors. eta vs tors. theta energy: -92.884
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: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1151.406184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.406184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.406184 (E_RNA)
where:
Base-Base interactions energy: -793.019
where: short stacking energy: -355.594
Base-Backbone interact. energy: -0.455
local terms energy: -357.932111
where:
bonds (distance) C4'-P energy: -64.085
bonds (distance) P-C4' energy: -67.194
flat angles C4'-P-C4' energy: -74.899
flat angles P-C4'-P energy: -49.814
tors. eta vs tors. theta energy: -101.941
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: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1055.291936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.291936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.291936 (E_RNA)
where:
Base-Base interactions energy: -726.913
where: short stacking energy: -309.591
Base-Backbone interact. energy: -0.869
local terms energy: -327.509783
where:
bonds (distance) C4'-P energy: -63.007
bonds (distance) P-C4' energy: -66.177
flat angles C4'-P-C4' energy: -74.409
flat angles P-C4'-P energy: -49.421
tors. eta vs tors. theta energy: -74.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -822.046421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.046421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.046421 (E_RNA)
where:
Base-Base interactions energy: -551.142
where: short stacking energy: -240.403
Base-Backbone interact. energy: 0.685
local terms energy: -271.588960
where:
bonds (distance) C4'-P energy: -51.827
bonds (distance) P-C4' energy: -57.858
flat angles C4'-P-C4' energy: -68.226
flat angles P-C4'-P energy: -43.168
tors. eta vs tors. theta energy: -50.510
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: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -690.377227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.377227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.377227 (E_RNA)
where:
Base-Base interactions energy: -430.114
where: short stacking energy: -205.161
Base-Backbone interact. energy: -1.671
local terms energy: -258.592373
where:
bonds (distance) C4'-P energy: -47.965
bonds (distance) P-C4' energy: -63.139
flat angles C4'-P-C4' energy: -66.133
flat angles P-C4'-P energy: -44.877
tors. eta vs tors. theta energy: -36.479
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: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -639.946373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.946373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.946373 (E_RNA)
where:
Base-Base interactions energy: -382.913
where: short stacking energy: -192.543
Base-Backbone interact. energy: -0.991
local terms energy: -256.042375
where:
bonds (distance) C4'-P energy: -57.744
bonds (distance) P-C4' energy: -60.468
flat angles C4'-P-C4' energy: -62.369
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: -28.532
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: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1424.186545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.186545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.186545 (E_RNA)
where:
Base-Base interactions energy: -1017.310
where: short stacking energy: -431.673
Base-Backbone interact. energy: 0.159
local terms energy: -407.035248
where:
bonds (distance) C4'-P energy: -82.700
bonds (distance) P-C4' energy: -73.661
flat angles C4'-P-C4' energy: -83.613
flat angles P-C4'-P energy: -56.128
tors. eta vs tors. theta energy: -110.932
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: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1318.324977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.324977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.324977 (E_RNA)
where:
Base-Base interactions energy: -920.223
where: short stacking energy: -383.958
Base-Backbone interact. energy: 1.321
local terms energy: -399.422969
where:
bonds (distance) C4'-P energy: -73.789
bonds (distance) P-C4' energy: -70.470
flat angles C4'-P-C4' energy: -82.695
flat angles P-C4'-P energy: -63.050
tors. eta vs tors. theta energy: -109.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1194.377936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.377936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.377936 (E_RNA)
where:
Base-Base interactions energy: -843.020
where: short stacking energy: -358.934
Base-Backbone interact. energy: 3.942
local terms energy: -355.300068
where:
bonds (distance) C4'-P energy: -58.318
bonds (distance) P-C4' energy: -72.621
flat angles C4'-P-C4' energy: -78.876
flat angles P-C4'-P energy: -46.725
tors. eta vs tors. theta energy: -98.760
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: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1200.557848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.557848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.557848 (E_RNA)
where:
Base-Base interactions energy: -852.802
where: short stacking energy: -367.438
Base-Backbone interact. energy: -0.876
local terms energy: -346.880245
where:
bonds (distance) C4'-P energy: -63.376
bonds (distance) P-C4' energy: -77.155
flat angles C4'-P-C4' energy: -71.413
flat angles P-C4'-P energy: -46.888
tors. eta vs tors. theta energy: -88.049
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: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1138.023777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.023777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.023777 (E_RNA)
where:
Base-Base interactions energy: -800.958
where: short stacking energy: -318.504
Base-Backbone interact. energy: 1.540
local terms energy: -338.605647
where:
bonds (distance) C4'-P energy: -61.482
bonds (distance) P-C4' energy: -73.178
flat angles C4'-P-C4' energy: -69.284
flat angles P-C4'-P energy: -41.603
tors. eta vs tors. theta energy: -93.059
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: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1110.810662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.810662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.810662 (E_RNA)
where:
Base-Base interactions energy: -782.284
where: short stacking energy: -342.502
Base-Backbone interact. energy: -1.862
local terms energy: -326.665284
where:
bonds (distance) C4'-P energy: -61.775
bonds (distance) P-C4' energy: -58.078
flat angles C4'-P-C4' energy: -68.156
flat angles P-C4'-P energy: -47.481
tors. eta vs tors. theta energy: -91.176
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: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1092.807803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.807803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.807803 (E_RNA)
where:
Base-Base interactions energy: -765.865
where: short stacking energy: -342.600
Base-Backbone interact. energy: 3.262
local terms energy: -330.204357
where:
bonds (distance) C4'-P energy: -71.622
bonds (distance) P-C4' energy: -63.974
flat angles C4'-P-C4' energy: -65.346
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -89.440
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: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -958.956336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.956336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.956336 (E_RNA)
where:
Base-Base interactions energy: -647.921
where: short stacking energy: -263.489
Base-Backbone interact. energy: -0.007
local terms energy: -311.027788
where:
bonds (distance) C4'-P energy: -81.211
bonds (distance) P-C4' energy: -65.095
flat angles C4'-P-C4' energy: -69.231
flat angles P-C4'-P energy: -40.379
tors. eta vs tors. theta energy: -55.112
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: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -725.432707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.432707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.432707 (E_RNA)
where:
Base-Base interactions energy: -461.636
where: short stacking energy: -212.498
Base-Backbone interact. energy: -1.329
local terms energy: -262.467508
where:
bonds (distance) C4'-P energy: -58.222
bonds (distance) P-C4' energy: -57.743
flat angles C4'-P-C4' energy: -52.427
flat angles P-C4'-P energy: -33.733
tors. eta vs tors. theta energy: -60.343
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: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -612.314627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.314627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.314627 (E_RNA)
where:
Base-Base interactions energy: -396.703
where: short stacking energy: -179.163
Base-Backbone interact. energy: 1.651
local terms energy: -217.262655
where:
bonds (distance) C4'-P energy: -66.663
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -49.842
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -26.545
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: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1439.868105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.868105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.868105 (E_RNA)
where:
Base-Base interactions energy: -1022.389
where: short stacking energy: -423.466
Base-Backbone interact. energy: -0.977
local terms energy: -416.502889
where:
bonds (distance) C4'-P energy: -76.436
bonds (distance) P-C4' energy: -73.743
flat angles C4'-P-C4' energy: -91.849
flat angles P-C4'-P energy: -56.895
tors. eta vs tors. theta energy: -117.580
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: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1325.000249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.000249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.000249 (E_RNA)
where:
Base-Base interactions energy: -936.338
where: short stacking energy: -405.998
Base-Backbone interact. energy: -1.344
local terms energy: -387.318185
where:
bonds (distance) C4'-P energy: -73.644
bonds (distance) P-C4' energy: -75.152
flat angles C4'-P-C4' energy: -84.619
flat angles P-C4'-P energy: -46.347
tors. eta vs tors. theta energy: -107.557
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: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1216.517476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.517476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.517476 (E_RNA)
where:
Base-Base interactions energy: -857.736
where: short stacking energy: -366.360
Base-Backbone interact. energy: 0.782
local terms energy: -359.563599
where:
bonds (distance) C4'-P energy: -70.452
bonds (distance) P-C4' energy: -67.910
flat angles C4'-P-C4' energy: -78.133
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -103.435
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: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1199.001134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.001134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.001134 (E_RNA)
where:
Base-Base interactions energy: -857.918
where: short stacking energy: -347.022
Base-Backbone interact. energy: -0.573
local terms energy: -340.510532
where:
bonds (distance) C4'-P energy: -73.668
bonds (distance) P-C4' energy: -58.739
flat angles C4'-P-C4' energy: -79.581
flat angles P-C4'-P energy: -45.920
tors. eta vs tors. theta energy: -82.603
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: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1150.734136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.734136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.734136 (E_RNA)
where:
Base-Base interactions energy: -780.607
where: short stacking energy: -338.322
Base-Backbone interact. energy: 0.663
local terms energy: -370.789970
where:
bonds (distance) C4'-P energy: -73.406
bonds (distance) P-C4' energy: -60.993
flat angles C4'-P-C4' energy: -81.903
flat angles P-C4'-P energy: -54.637
tors. eta vs tors. theta energy: -99.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1125.313128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.313128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.313128 (E_RNA)
where:
Base-Base interactions energy: -803.860
where: short stacking energy: -351.423
Base-Backbone interact. energy: -0.292
local terms energy: -321.161885
where:
bonds (distance) C4'-P energy: -48.258
bonds (distance) P-C4' energy: -61.544
flat angles C4'-P-C4' energy: -74.797
flat angles P-C4'-P energy: -41.885
tors. eta vs tors. theta energy: -94.678
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: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1055.931081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.931081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.931081 (E_RNA)
where:
Base-Base interactions energy: -743.308
where: short stacking energy: -314.471
Base-Backbone interact. energy: -1.020
local terms energy: -311.603219
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -54.557
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -60.420
tors. eta vs tors. theta energy: -82.347
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: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -948.679660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.679660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.679660 (E_RNA)
where:
Base-Base interactions energy: -657.686
where: short stacking energy: -269.892
Base-Backbone interact. energy: -2.782
local terms energy: -288.211408
where:
bonds (distance) C4'-P energy: -57.853
bonds (distance) P-C4' energy: -59.473
flat angles C4'-P-C4' energy: -64.275
flat angles P-C4'-P energy: -49.802
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: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -717.978207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.978207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.978207 (E_RNA)
where:
Base-Base interactions energy: -469.090
where: short stacking energy: -199.150
Base-Backbone interact. energy: 0.512
local terms energy: -249.401006
where:
bonds (distance) C4'-P energy: -62.082
bonds (distance) P-C4' energy: -59.709
flat angles C4'-P-C4' energy: -65.389
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -38.368
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: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -612.694552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.694552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.694552 (E_RNA)
where:
Base-Base interactions energy: -383.239
where: short stacking energy: -196.433
Base-Backbone interact. energy: -0.938
local terms energy: -228.517524
where:
bonds (distance) C4'-P energy: -70.550
bonds (distance) P-C4' energy: -49.015
flat angles C4'-P-C4' energy: -58.075
flat angles P-C4'-P energy: -26.411
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: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1447.205183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.205183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.205183 (E_RNA)
where:
Base-Base interactions energy: -1030.927
where: short stacking energy: -427.119
Base-Backbone interact. energy: -2.111
local terms energy: -414.166691
where:
bonds (distance) C4'-P energy: -81.992
bonds (distance) P-C4' energy: -62.657
flat angles C4'-P-C4' energy: -86.966
flat angles P-C4'-P energy: -62.203
tors. eta vs tors. theta energy: -120.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1339.342487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.342487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.342487 (E_RNA)
where:
Base-Base interactions energy: -933.838
where: short stacking energy: -397.838
Base-Backbone interact. energy: -2.861
local terms energy: -402.643530
where:
bonds (distance) C4'-P energy: -76.088
bonds (distance) P-C4' energy: -75.784
flat angles C4'-P-C4' energy: -84.525
flat angles P-C4'-P energy: -60.687
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: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1244.428265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.428265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.428265 (E_RNA)
where:
Base-Base interactions energy: -867.416
where: short stacking energy: -390.444
Base-Backbone interact. energy: 0.122
local terms energy: -377.134712
where:
bonds (distance) C4'-P energy: -72.313
bonds (distance) P-C4' energy: -59.339
flat angles C4'-P-C4' energy: -81.296
flat angles P-C4'-P energy: -55.445
tors. eta vs tors. theta energy: -108.743
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: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1216.785700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.785700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.785700 (E_RNA)
where:
Base-Base interactions energy: -877.516
where: short stacking energy: -358.970
Base-Backbone interact. energy: -3.295
local terms energy: -335.973999
where:
bonds (distance) C4'-P energy: -60.039
bonds (distance) P-C4' energy: -63.220
flat angles C4'-P-C4' energy: -69.178
flat angles P-C4'-P energy: -50.116
tors. eta vs tors. theta energy: -93.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1157.554339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.554339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.554339 (E_RNA)
where:
Base-Base interactions energy: -802.168
where: short stacking energy: -350.804
Base-Backbone interact. energy: -3.402
local terms energy: -351.984785
where:
bonds (distance) C4'-P energy: -69.452
bonds (distance) P-C4' energy: -69.043
flat angles C4'-P-C4' energy: -77.399
flat angles P-C4'-P energy: -39.306
tors. eta vs tors. theta energy: -96.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1142.188887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.188887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.188887 (E_RNA)
where:
Base-Base interactions energy: -793.836
where: short stacking energy: -348.897
Base-Backbone interact. energy: 0.744
local terms energy: -349.096911
where:
bonds (distance) C4'-P energy: -58.148
bonds (distance) P-C4' energy: -65.459
flat angles C4'-P-C4' energy: -79.091
flat angles P-C4'-P energy: -52.347
tors. eta vs tors. theta energy: -94.052
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: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1067.141559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.141559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.141559 (E_RNA)
where:
Base-Base interactions energy: -743.798
where: short stacking energy: -319.977
Base-Backbone interact. energy: -1.037
local terms energy: -322.306574
where:
bonds (distance) C4'-P energy: -52.950
bonds (distance) P-C4' energy: -69.185
flat angles C4'-P-C4' energy: -73.126
flat angles P-C4'-P energy: -44.859
tors. eta vs tors. theta energy: -82.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -955.297691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.297691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.297691 (E_RNA)
where:
Base-Base interactions energy: -644.998
where: short stacking energy: -286.313
Base-Backbone interact. energy: -2.220
local terms energy: -308.080349
where:
bonds (distance) C4'-P energy: -58.349
bonds (distance) P-C4' energy: -70.966
flat angles C4'-P-C4' energy: -72.824
flat angles P-C4'-P energy: -35.502
tors. eta vs tors. theta energy: -70.439
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: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -699.485457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.485457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.485457 (E_RNA)
where:
Base-Base interactions energy: -443.401
where: short stacking energy: -201.053
Base-Backbone interact. energy: -0.873
local terms energy: -255.211097
where:
bonds (distance) C4'-P energy: -72.934
bonds (distance) P-C4' energy: -52.482
flat angles C4'-P-C4' energy: -60.387
flat angles P-C4'-P energy: -35.908
tors. eta vs tors. theta energy: -33.500
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: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -625.740735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.740735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.740735 (E_RNA)
where:
Base-Base interactions energy: -390.857
where: short stacking energy: -177.057
Base-Backbone interact. energy: -2.766
local terms energy: -232.118305
where:
bonds (distance) C4'-P energy: -56.742
bonds (distance) P-C4' energy: -54.078
flat angles C4'-P-C4' energy: -56.668
flat angles P-C4'-P energy: -28.724
tors. eta vs tors. theta energy: -35.907
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: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1444.447743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.447743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.447743 (E_RNA)
where:
Base-Base interactions energy: -1026.601
where: short stacking energy: -433.035
Base-Backbone interact. energy: -0.528
local terms energy: -417.319163
where:
bonds (distance) C4'-P energy: -75.562
bonds (distance) P-C4' energy: -82.149
flat angles C4'-P-C4' energy: -83.787
flat angles P-C4'-P energy: -64.913
tors. eta vs tors. theta energy: -110.908
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: 139
Temperature: 0.950000
Total energy: -1329.492563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.492563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.492563 (E_RNA)
where:
Base-Base interactions energy: -942.956
where: short stacking energy: -396.581
Base-Backbone interact. energy: -1.147
local terms energy: -385.389614
where:
bonds (distance) C4'-P energy: -60.478
bonds (distance) P-C4' energy: -72.411
flat angles C4'-P-C4' energy: -85.779
flat angles P-C4'-P energy: -60.054
tors. eta vs tors. theta energy: -106.669
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: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1239.788069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.788069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.788069 (E_RNA)
where:
Base-Base interactions energy: -861.289
where: short stacking energy: -375.802
Base-Backbone interact. energy: -0.951
local terms energy: -377.547839
where:
bonds (distance) C4'-P energy: -67.595
bonds (distance) P-C4' energy: -70.125
flat angles C4'-P-C4' energy: -76.455
flat angles P-C4'-P energy: -58.673
tors. eta vs tors. theta energy: -104.700
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: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1223.401936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.401936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.401936 (E_RNA)
where:
Base-Base interactions energy: -859.596
where: short stacking energy: -363.868
Base-Backbone interact. energy: -0.090
local terms energy: -363.716005
where:
bonds (distance) C4'-P energy: -66.036
bonds (distance) P-C4' energy: -66.461
flat angles C4'-P-C4' energy: -78.918
flat angles P-C4'-P energy: -54.346
tors. eta vs tors. theta energy: -97.955
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: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1194.806071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.806071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.806071 (E_RNA)
where:
Base-Base interactions energy: -840.314
where: short stacking energy: -357.771
Base-Backbone interact. energy: 1.676
local terms energy: -356.167947
where:
bonds (distance) C4'-P energy: -63.631
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -83.673
flat angles P-C4'-P energy: -50.602
tors. eta vs tors. theta energy: -99.300
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: 139
Temperature: 1.150000
Total energy: -1160.118374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.118374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.118374 (E_RNA)
where:
Base-Base interactions energy: -819.067
where: short stacking energy: -340.189
Base-Backbone interact. energy: -1.094
local terms energy: -339.956811
where:
bonds (distance) C4'-P energy: -61.133
bonds (distance) P-C4' energy: -65.695
flat angles C4'-P-C4' energy: -72.180
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -93.188
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: 139
Temperature: 1.200000
Total energy: -1058.967250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.967250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.967250 (E_RNA)
where:
Base-Base interactions energy: -727.612
where: short stacking energy: -306.867
Base-Backbone interact. energy: -0.342
local terms energy: -331.013825
where:
bonds (distance) C4'-P energy: -55.582
bonds (distance) P-C4' energy: -68.602
flat angles C4'-P-C4' energy: -72.502
flat angles P-C4'-P energy: -53.412
tors. eta vs tors. theta energy: -80.915
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: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -987.921526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.921526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.921526 (E_RNA)
where:
Base-Base interactions energy: -689.064
where: short stacking energy: -278.589
Base-Backbone interact. energy: 1.023
local terms energy: -299.879957
where:
bonds (distance) C4'-P energy: -70.581
bonds (distance) P-C4' energy: -62.130
flat angles C4'-P-C4' energy: -69.083
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -64.269
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: 139
Temperature: 1.300000
Total energy: -731.991372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.991372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.991372 (E_RNA)
where:
Base-Base interactions energy: -462.624
where: short stacking energy: -211.116
Base-Backbone interact. energy: -3.026
local terms energy: -266.341307
where:
bonds (distance) C4'-P energy: -65.193
bonds (distance) P-C4' energy: -66.328
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: -37.852
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: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -639.670032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.670032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.670032 (E_RNA)
where:
Base-Base interactions energy: -414.810
where: short stacking energy: -160.899
Base-Backbone interact. energy: 1.297
local terms energy: -226.156328
where:
bonds (distance) C4'-P energy: -64.874
bonds (distance) P-C4' energy: -62.981
flat angles C4'-P-C4' energy: -56.644
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -20.545
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: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1433.701635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.701635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.701635 (E_RNA)
where:
Base-Base interactions energy: -1025.445
where: short stacking energy: -421.769
Base-Backbone interact. energy: -1.227
local terms energy: -407.029711
where:
bonds (distance) C4'-P energy: -67.541
bonds (distance) P-C4' energy: -79.733
flat angles C4'-P-C4' energy: -83.649
flat angles P-C4'-P energy: -57.833
tors. eta vs tors. theta energy: -118.273
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: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1342.588402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.588402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.588402 (E_RNA)
where:
Base-Base interactions energy: -930.364
where: short stacking energy: -398.498
Base-Backbone interact. energy: -1.855
local terms energy: -410.369240
where:
bonds (distance) C4'-P energy: -74.510
bonds (distance) P-C4' energy: -79.812
flat angles C4'-P-C4' energy: -84.327
flat angles P-C4'-P energy: -60.346
tors. eta vs tors. theta energy: -111.375
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: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1228.718053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.718053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.718053 (E_RNA)
where:
Base-Base interactions energy: -863.792
where: short stacking energy: -377.764
Base-Backbone interact. energy: -2.363
local terms energy: -362.562554
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -67.555
flat angles C4'-P-C4' energy: -82.653
flat angles P-C4'-P energy: -52.066
tors. eta vs tors. theta energy: -100.504
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1227.674596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.674596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.674596 (E_RNA)
where:
Base-Base interactions energy: -872.566
where: short stacking energy: -354.965
Base-Backbone interact. energy: -0.352
local terms energy: -354.757440
where:
bonds (distance) C4'-P energy: -65.492
bonds (distance) P-C4' energy: -71.160
flat angles C4'-P-C4' energy: -76.759
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: -94.963
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: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1193.632015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.632015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.632015 (E_RNA)
where:
Base-Base interactions energy: -843.824
where: short stacking energy: -390.193
Base-Backbone interact. energy: -3.404
local terms energy: -346.404547
where:
bonds (distance) C4'-P energy: -61.479
bonds (distance) P-C4' energy: -63.269
flat angles C4'-P-C4' energy: -72.108
flat angles P-C4'-P energy: -35.207
tors. eta vs tors. theta energy: -114.341
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: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1134.967684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.967684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.967684 (E_RNA)
where:
Base-Base interactions energy: -796.128
where: short stacking energy: -345.483
Base-Backbone interact. energy: -2.958
local terms energy: -335.882069
where:
bonds (distance) C4'-P energy: -59.791
bonds (distance) P-C4' energy: -63.190
flat angles C4'-P-C4' energy: -75.735
flat angles P-C4'-P energy: -44.875
tors. eta vs tors. theta energy: -92.291
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: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1048.644523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.644523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.644523 (E_RNA)
where:
Base-Base interactions energy: -700.731
where: short stacking energy: -286.683
Base-Backbone interact. energy: -4.140
local terms energy: -343.774047
where:
bonds (distance) C4'-P energy: -77.562
bonds (distance) P-C4' energy: -72.128
flat angles C4'-P-C4' energy: -70.407
flat angles P-C4'-P energy: -48.593
tors. eta vs tors. theta energy: -75.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1000.902403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.902403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.902403 (E_RNA)
where:
Base-Base interactions energy: -707.595
where: short stacking energy: -301.086
Base-Backbone interact. energy: 5.471
local terms energy: -298.778132
where:
bonds (distance) C4'-P energy: -41.443
bonds (distance) P-C4' energy: -62.305
flat angles C4'-P-C4' energy: -70.228
flat angles P-C4'-P energy: -50.895
tors. eta vs tors. theta energy: -73.907
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: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -712.959011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.959011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.959011 (E_RNA)
where:
Base-Base interactions energy: -487.321
where: short stacking energy: -195.301
Base-Backbone interact. energy: 3.142
local terms energy: -228.780383
where:
bonds (distance) C4'-P energy: -55.096
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -42.753
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -30.474
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: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -698.595041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.595041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.595041 (E_RNA)
where:
Base-Base interactions energy: -442.630
where: short stacking energy: -204.453
Base-Backbone interact. energy: -0.167
local terms energy: -255.798653
where:
bonds (distance) C4'-P energy: -58.121
bonds (distance) P-C4' energy: -59.220
flat angles C4'-P-C4' energy: -53.155
flat angles P-C4'-P energy: -44.559
tors. eta vs tors. theta energy: -40.744
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: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1435.638285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.638285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.638285 (E_RNA)
where:
Base-Base interactions energy: -1031.399
where: short stacking energy: -422.379
Base-Backbone interact. energy: 0.232
local terms energy: -404.471807
where:
bonds (distance) C4'-P energy: -76.436
bonds (distance) P-C4' energy: -68.411
flat angles C4'-P-C4' energy: -87.932
flat angles P-C4'-P energy: -59.980
tors. eta vs tors. theta energy: -111.712
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: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1344.125431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.125431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.125431 (E_RNA)
where:
Base-Base interactions energy: -939.206
where: short stacking energy: -413.152
Base-Backbone interact. energy: 2.936
local terms energy: -407.855681
where:
bonds (distance) C4'-P energy: -69.093
bonds (distance) P-C4' energy: -76.571
flat angles C4'-P-C4' energy: -86.696
flat angles P-C4'-P energy: -58.175
tors. eta vs tors. theta energy: -117.320
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: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1211.219762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.219762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.219762 (E_RNA)
where:
Base-Base interactions energy: -828.089
where: short stacking energy: -366.380
Base-Backbone interact. energy: 1.314
local terms energy: -384.445579
where:
bonds (distance) C4'-P energy: -73.928
bonds (distance) P-C4' energy: -75.892
flat angles C4'-P-C4' energy: -85.553
flat angles P-C4'-P energy: -49.127
tors. eta vs tors. theta energy: -99.945
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: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1225.522360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.522360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.522360 (E_RNA)
where:
Base-Base interactions energy: -875.048
where: short stacking energy: -365.086
Base-Backbone interact. energy: -3.348
local terms energy: -347.126953
where:
bonds (distance) C4'-P energy: -54.466
bonds (distance) P-C4' energy: -75.049
flat angles C4'-P-C4' energy: -74.018
flat angles P-C4'-P energy: -47.512
tors. eta vs tors. theta energy: -96.081
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: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1173.636750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.636750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.636750 (E_RNA)
where:
Base-Base interactions energy: -811.628
where: short stacking energy: -353.087
Base-Backbone interact. energy: -1.970
local terms energy: -360.038689
where:
bonds (distance) C4'-P energy: -63.614
bonds (distance) P-C4' energy: -66.663
flat angles C4'-P-C4' energy: -71.886
flat angles P-C4'-P energy: -55.411
tors. eta vs tors. theta energy: -102.465
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: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1170.968114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.968114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.968114 (E_RNA)
where:
Base-Base interactions energy: -822.291
where: short stacking energy: -353.054
Base-Backbone interact. energy: -3.522
local terms energy: -345.155579
where:
bonds (distance) C4'-P energy: -60.687
bonds (distance) P-C4' energy: -57.253
flat angles C4'-P-C4' energy: -77.936
flat angles P-C4'-P energy: -44.461
tors. eta vs tors. theta energy: -104.820
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: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -983.237444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.237444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.237444 (E_RNA)
where:
Base-Base interactions energy: -680.718
where: short stacking energy: -286.983
Base-Backbone interact. energy: 0.008
local terms energy: -302.527435
where:
bonds (distance) C4'-P energy: -71.134
bonds (distance) P-C4' energy: -58.805
flat angles C4'-P-C4' energy: -56.227
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -73.781
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: 141
Temperature: 1.250000
Total energy: -983.115838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.115838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.115838 (E_RNA)
where:
Base-Base interactions energy: -672.540
where: short stacking energy: -293.531
Base-Backbone interact. energy: 0.062
local terms energy: -310.637799
where:
bonds (distance) C4'-P energy: -65.852
bonds (distance) P-C4' energy: -61.839
flat angles C4'-P-C4' energy: -69.203
flat angles P-C4'-P energy: -44.311
tors. eta vs tors. theta energy: -69.432
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: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -771.444405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.444405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.444405 (E_RNA)
where:
Base-Base interactions energy: -514.204
where: short stacking energy: -195.656
Base-Backbone interact. energy: 3.872
local terms energy: -261.111949
where:
bonds (distance) C4'-P energy: -69.150
bonds (distance) P-C4' energy: -64.872
flat angles C4'-P-C4' energy: -59.355
flat angles P-C4'-P energy: -42.625
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: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -679.365323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.365323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.365323 (E_RNA)
where:
Base-Base interactions energy: -440.516
where: short stacking energy: -197.019
Base-Backbone interact. energy: -1.203
local terms energy: -237.646521
where:
bonds (distance) C4'-P energy: -43.646
bonds (distance) P-C4' energy: -64.791
flat angles C4'-P-C4' energy: -55.618
flat angles P-C4'-P energy: -43.185
tors. eta vs tors. theta energy: -30.407
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: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1445.465970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.465970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.465970 (E_RNA)
where:
Base-Base interactions energy: -1028.310
where: short stacking energy: -424.993
Base-Backbone interact. energy: -0.712
local terms energy: -416.444385
where:
bonds (distance) C4'-P energy: -72.900
bonds (distance) P-C4' energy: -79.187
flat angles C4'-P-C4' energy: -89.900
flat angles P-C4'-P energy: -59.408
tors. eta vs tors. theta energy: -115.049
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: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1345.331441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.331441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.331441 (E_RNA)
where:
Base-Base interactions energy: -930.539
where: short stacking energy: -416.126
Base-Backbone interact. energy: -0.825
local terms energy: -413.967510
where:
bonds (distance) C4'-P energy: -79.162
bonds (distance) P-C4' energy: -76.480
flat angles C4'-P-C4' energy: -80.443
flat angles P-C4'-P energy: -61.566
tors. eta vs tors. theta energy: -116.317
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: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1231.932039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.932039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.932039 (E_RNA)
where:
Base-Base interactions energy: -860.552
where: short stacking energy: -359.630
Base-Backbone interact. energy: -1.213
local terms energy: -370.166526
where:
bonds (distance) C4'-P energy: -65.380
bonds (distance) P-C4' energy: -82.869
flat angles C4'-P-C4' energy: -76.685
flat angles P-C4'-P energy: -43.866
tors. eta vs tors. theta energy: -101.366
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: 142
Temperature: 1.050000
Total energy: -1178.146210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.146210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.146210 (E_RNA)
where:
Base-Base interactions energy: -808.415
where: short stacking energy: -353.625
Base-Backbone interact. energy: 0.120
local terms energy: -369.850473
where:
bonds (distance) C4'-P energy: -63.920
bonds (distance) P-C4' energy: -67.602
flat angles C4'-P-C4' energy: -80.219
flat angles P-C4'-P energy: -54.341
tors. eta vs tors. theta energy: -103.768
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: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1189.951870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.951870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.951870 (E_RNA)
where:
Base-Base interactions energy: -837.140
where: short stacking energy: -352.923
Base-Backbone interact. energy: 1.276
local terms energy: -354.087913
where:
bonds (distance) C4'-P energy: -51.522
bonds (distance) P-C4' energy: -70.478
flat angles C4'-P-C4' energy: -82.294
flat angles P-C4'-P energy: -41.378
tors. eta vs tors. theta energy: -108.416
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: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1166.010062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.010062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.010062 (E_RNA)
where:
Base-Base interactions energy: -807.896
where: short stacking energy: -345.376
Base-Backbone interact. energy: -0.683
local terms energy: -357.431296
where:
bonds (distance) C4'-P energy: -63.224
bonds (distance) P-C4' energy: -64.883
flat angles C4'-P-C4' energy: -81.372
flat angles P-C4'-P energy: -53.852
tors. eta vs tors. theta energy: -94.100
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: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1022.162406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.162406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.162406 (E_RNA)
where:
Base-Base interactions energy: -725.605
where: short stacking energy: -297.163
Base-Backbone interact. energy: -1.873
local terms energy: -294.683997
where:
bonds (distance) C4'-P energy: -48.471
bonds (distance) P-C4' energy: -61.485
flat angles C4'-P-C4' energy: -69.250
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: -67.130
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: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -993.344940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.344940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.344940 (E_RNA)
where:
Base-Base interactions energy: -673.102
where: short stacking energy: -300.597
Base-Backbone interact. energy: -1.110
local terms energy: -319.132314
where:
bonds (distance) C4'-P energy: -59.096
bonds (distance) P-C4' energy: -55.930
flat angles C4'-P-C4' energy: -79.114
flat angles P-C4'-P energy: -51.100
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: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -733.987601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.987601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.987601 (E_RNA)
where:
Base-Base interactions energy: -500.622
where: short stacking energy: -219.213
Base-Backbone interact. energy: -1.805
local terms energy: -231.560254
where:
bonds (distance) C4'-P energy: -53.455
bonds (distance) P-C4' energy: -56.755
flat angles C4'-P-C4' energy: -60.619
flat angles P-C4'-P energy: -35.790
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: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -683.272001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.272001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.272001 (E_RNA)
where:
Base-Base interactions energy: -459.015
where: short stacking energy: -193.726
Base-Backbone interact. energy: 7.974
local terms energy: -232.230726
where:
bonds (distance) C4'-P energy: -49.574
bonds (distance) P-C4' energy: -62.167
flat angles C4'-P-C4' energy: -54.784
flat angles P-C4'-P energy: -42.872
tors. eta vs tors. theta energy: -22.834
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: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1465.710040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.710040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.710040 (E_RNA)
where:
Base-Base interactions energy: -1034.366
where: short stacking energy: -427.474
Base-Backbone interact. energy: -1.899
local terms energy: -429.445547
where:
bonds (distance) C4'-P energy: -77.771
bonds (distance) P-C4' energy: -81.494
flat angles C4'-P-C4' energy: -86.599
flat angles P-C4'-P energy: -60.036
tors. eta vs tors. theta energy: -123.546
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: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1338.877409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.877409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.877409 (E_RNA)
where:
Base-Base interactions energy: -933.391
where: short stacking energy: -408.259
Base-Backbone interact. energy: -0.454
local terms energy: -405.032892
where:
bonds (distance) C4'-P energy: -81.162
bonds (distance) P-C4' energy: -73.450
flat angles C4'-P-C4' energy: -78.984
flat angles P-C4'-P energy: -59.291
tors. eta vs tors. theta energy: -112.146
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: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1261.520194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.520194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.520194 (E_RNA)
where:
Base-Base interactions energy: -882.458
where: short stacking energy: -353.583
Base-Backbone interact. energy: -0.686
local terms energy: -378.375263
where:
bonds (distance) C4'-P energy: -69.829
bonds (distance) P-C4' energy: -71.184
flat angles C4'-P-C4' energy: -81.209
flat angles P-C4'-P energy: -54.468
tors. eta vs tors. theta energy: -101.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1231.261365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.261365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.261365 (E_RNA)
where:
Base-Base interactions energy: -859.423
where: short stacking energy: -367.521
Base-Backbone interact. energy: -2.011
local terms energy: -369.827092
where:
bonds (distance) C4'-P energy: -69.671
bonds (distance) P-C4' energy: -70.958
flat angles C4'-P-C4' energy: -71.506
flat angles P-C4'-P energy: -55.209
tors. eta vs tors. theta energy: -102.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1173.773129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.773129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.773129 (E_RNA)
where:
Base-Base interactions energy: -820.973
where: short stacking energy: -338.524
Base-Backbone interact. energy: -0.041
local terms energy: -352.758601
where:
bonds (distance) C4'-P energy: -71.437
bonds (distance) P-C4' energy: -60.502
flat angles C4'-P-C4' energy: -72.141
flat angles P-C4'-P energy: -58.685
tors. eta vs tors. theta energy: -89.993
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: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1194.704491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.704491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.704491 (E_RNA)
where:
Base-Base interactions energy: -856.711
where: short stacking energy: -355.197
Base-Backbone interact. energy: -1.912
local terms energy: -336.082163
where:
bonds (distance) C4'-P energy: -57.235
bonds (distance) P-C4' energy: -62.325
flat angles C4'-P-C4' energy: -69.563
flat angles P-C4'-P energy: -48.124
tors. eta vs tors. theta energy: -98.836
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: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1030.999913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.999913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.999913 (E_RNA)
where:
Base-Base interactions energy: -718.721
where: short stacking energy: -293.763
Base-Backbone interact. energy: 0.899
local terms energy: -313.177570
where:
bonds (distance) C4'-P energy: -56.952
bonds (distance) P-C4' energy: -67.532
flat angles C4'-P-C4' energy: -70.938
flat angles P-C4'-P energy: -45.206
tors. eta vs tors. theta energy: -72.549
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: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -957.620498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.620498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.620498 (E_RNA)
where:
Base-Base interactions energy: -638.056
where: short stacking energy: -272.974
Base-Backbone interact. energy: -0.609
local terms energy: -318.955368
where:
bonds (distance) C4'-P energy: -68.022
bonds (distance) P-C4' energy: -69.545
flat angles C4'-P-C4' energy: -68.267
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -66.487
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: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -770.826093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.826093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.826093 (E_RNA)
where:
Base-Base interactions energy: -521.113
where: short stacking energy: -209.778
Base-Backbone interact. energy: -0.808
local terms energy: -248.904821
where:
bonds (distance) C4'-P energy: -52.135
bonds (distance) P-C4' energy: -59.782
flat angles C4'-P-C4' energy: -55.555
flat angles P-C4'-P energy: -45.077
tors. eta vs tors. theta energy: -36.357
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: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -698.767171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.767171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.767171 (E_RNA)
where:
Base-Base interactions energy: -469.522
where: short stacking energy: -177.006
Base-Backbone interact. energy: 0.561
local terms energy: -229.805552
where:
bonds (distance) C4'-P energy: -50.442
bonds (distance) P-C4' energy: -69.204
flat angles C4'-P-C4' energy: -50.904
flat angles P-C4'-P energy: -43.689
tors. eta vs tors. theta energy: -15.567
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: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1422.936885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.936885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.936885 (E_RNA)
where:
Base-Base interactions energy: -1024.141
where: short stacking energy: -427.605
Base-Backbone interact. energy: -1.806
local terms energy: -396.989785
where:
bonds (distance) C4'-P energy: -75.896
bonds (distance) P-C4' energy: -63.951
flat angles C4'-P-C4' energy: -89.109
flat angles P-C4'-P energy: -57.739
tors. eta vs tors. theta energy: -110.295
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: 144
Temperature: 0.950000
Total energy: -1331.405639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.405639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.405639 (E_RNA)
where:
Base-Base interactions energy: -925.425
where: short stacking energy: -399.812
Base-Backbone interact. energy: -0.862
local terms energy: -405.119056
where:
bonds (distance) C4'-P energy: -68.676
bonds (distance) P-C4' energy: -75.089
flat angles C4'-P-C4' energy: -91.842
flat angles P-C4'-P energy: -51.199
tors. eta vs tors. theta energy: -118.313
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: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1288.415489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.415489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.415489 (E_RNA)
where:
Base-Base interactions energy: -897.011
where: short stacking energy: -406.892
Base-Backbone interact. energy: -2.602
local terms energy: -388.801743
where:
bonds (distance) C4'-P energy: -64.398
bonds (distance) P-C4' energy: -74.838
flat angles C4'-P-C4' energy: -82.014
flat angles P-C4'-P energy: -52.929
tors. eta vs tors. theta energy: -114.623
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: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1219.889779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.889779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.889779 (E_RNA)
where:
Base-Base interactions energy: -858.328
where: short stacking energy: -357.771
Base-Backbone interact. energy: -1.218
local terms energy: -360.343500
where:
bonds (distance) C4'-P energy: -70.856
bonds (distance) P-C4' energy: -66.702
flat angles C4'-P-C4' energy: -75.061
flat angles P-C4'-P energy: -44.480
tors. eta vs tors. theta energy: -103.244
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: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1202.952319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.952319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.952319 (E_RNA)
where:
Base-Base interactions energy: -831.182
where: short stacking energy: -336.030
Base-Backbone interact. energy: -1.139
local terms energy: -370.630759
where:
bonds (distance) C4'-P energy: -75.083
bonds (distance) P-C4' energy: -68.201
flat angles C4'-P-C4' energy: -73.233
flat angles P-C4'-P energy: -54.617
tors. eta vs tors. theta energy: -99.497
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: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1121.511869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.511869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.511869 (E_RNA)
where:
Base-Base interactions energy: -770.164
where: short stacking energy: -331.905
Base-Backbone interact. energy: -2.147
local terms energy: -349.200602
where:
bonds (distance) C4'-P energy: -65.179
bonds (distance) P-C4' energy: -70.567
flat angles C4'-P-C4' energy: -78.442
flat angles P-C4'-P energy: -46.640
tors. eta vs tors. theta energy: -88.373
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: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1073.310767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.310767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.310767 (E_RNA)
where:
Base-Base interactions energy: -737.612
where: short stacking energy: -315.514
Base-Backbone interact. energy: 0.099
local terms energy: -335.797432
where:
bonds (distance) C4'-P energy: -72.659
bonds (distance) P-C4' energy: -75.092
flat angles C4'-P-C4' energy: -71.220
flat angles P-C4'-P energy: -37.388
tors. eta vs tors. theta energy: -79.438
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: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -927.686257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.686257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.686257 (E_RNA)
where:
Base-Base interactions energy: -623.968
where: short stacking energy: -259.619
Base-Backbone interact. energy: 3.270
local terms energy: -306.988907
where:
bonds (distance) C4'-P energy: -65.054
bonds (distance) P-C4' energy: -69.780
flat angles C4'-P-C4' energy: -77.796
flat angles P-C4'-P energy: -34.624
tors. eta vs tors. theta energy: -59.735
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: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -786.973893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.973893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.973893 (E_RNA)
where:
Base-Base interactions energy: -524.201
where: short stacking energy: -241.284
Base-Backbone interact. energy: -1.030
local terms energy: -261.743073
where:
bonds (distance) C4'-P energy: -48.695
bonds (distance) P-C4' energy: -70.741
flat angles C4'-P-C4' energy: -63.291
flat angles P-C4'-P energy: -35.642
tors. eta vs tors. theta energy: -43.373
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: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -571.231279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.231279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.231279 (E_RNA)
where:
Base-Base interactions energy: -360.742
where: short stacking energy: -153.811
Base-Backbone interact. energy: 3.566
local terms energy: -214.055290
where:
bonds (distance) C4'-P energy: -58.979
bonds (distance) P-C4' energy: -54.441
flat angles C4'-P-C4' energy: -42.158
flat angles P-C4'-P energy: -32.460
tors. eta vs tors. theta energy: -26.018
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: 145
Temperature: 0.900000
Total energy: -1422.113203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.113203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.113203 (E_RNA)
where:
Base-Base interactions energy: -1006.407
where: short stacking energy: -412.673
Base-Backbone interact. energy: -1.388
local terms energy: -414.318395
where:
bonds (distance) C4'-P energy: -70.889
bonds (distance) P-C4' energy: -75.185
flat angles C4'-P-C4' energy: -92.111
flat angles P-C4'-P energy: -57.024
tors. eta vs tors. theta energy: -119.109
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: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1330.208952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.208952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.208952 (E_RNA)
where:
Base-Base interactions energy: -938.024
where: short stacking energy: -402.354
Base-Backbone interact. energy: -0.750
local terms energy: -391.435439
where:
bonds (distance) C4'-P energy: -81.257
bonds (distance) P-C4' energy: -66.375
flat angles C4'-P-C4' energy: -82.898
flat angles P-C4'-P energy: -51.536
tors. eta vs tors. theta energy: -109.370
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: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1280.321063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.321063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.321063 (E_RNA)
where:
Base-Base interactions energy: -908.861
where: short stacking energy: -391.008
Base-Backbone interact. energy: 1.261
local terms energy: -372.720814
where:
bonds (distance) C4'-P energy: -63.610
bonds (distance) P-C4' energy: -71.759
flat angles C4'-P-C4' energy: -81.925
flat angles P-C4'-P energy: -45.185
tors. eta vs tors. theta energy: -110.242
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: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1217.056449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.056449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.056449 (E_RNA)
where:
Base-Base interactions energy: -859.922
where: short stacking energy: -354.484
Base-Backbone interact. energy: -0.118
local terms energy: -357.015878
where:
bonds (distance) C4'-P energy: -72.270
bonds (distance) P-C4' energy: -74.719
flat angles C4'-P-C4' energy: -71.439
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -92.074
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: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1222.191005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.191005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.191005 (E_RNA)
where:
Base-Base interactions energy: -870.492
where: short stacking energy: -366.903
Base-Backbone interact. energy: -1.654
local terms energy: -350.044323
where:
bonds (distance) C4'-P energy: -57.598
bonds (distance) P-C4' energy: -59.797
flat angles C4'-P-C4' energy: -74.754
flat angles P-C4'-P energy: -58.409
tors. eta vs tors. theta energy: -99.488
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: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1117.069446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.069446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.069446 (E_RNA)
where:
Base-Base interactions energy: -757.131
where: short stacking energy: -318.256
Base-Backbone interact. energy: -2.434
local terms energy: -357.504279
where:
bonds (distance) C4'-P energy: -68.695
bonds (distance) P-C4' energy: -71.381
flat angles C4'-P-C4' energy: -78.083
flat angles P-C4'-P energy: -50.282
tors. eta vs tors. theta energy: -89.063
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: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1047.113004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.113004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.113004 (E_RNA)
where:
Base-Base interactions energy: -750.233
where: short stacking energy: -340.420
Base-Backbone interact. energy: -1.658
local terms energy: -295.222445
where:
bonds (distance) C4'-P energy: -52.594
bonds (distance) P-C4' energy: -54.469
flat angles C4'-P-C4' energy: -70.230
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -91.153
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: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -991.466849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.466849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.466849 (E_RNA)
where:
Base-Base interactions energy: -674.019
where: short stacking energy: -297.911
Base-Backbone interact. energy: 1.655
local terms energy: -319.102674
where:
bonds (distance) C4'-P energy: -51.399
bonds (distance) P-C4' energy: -62.095
flat angles C4'-P-C4' energy: -78.087
flat angles P-C4'-P energy: -55.445
tors. eta vs tors. theta energy: -72.076
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: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -825.913203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.913203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.913203 (E_RNA)
where:
Base-Base interactions energy: -540.547
where: short stacking energy: -246.295
Base-Backbone interact. energy: -0.586
local terms energy: -284.780047
where:
bonds (distance) C4'-P energy: -57.771
bonds (distance) P-C4' energy: -69.755
flat angles C4'-P-C4' energy: -60.614
flat angles P-C4'-P energy: -48.239
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: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -594.602469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.602469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.602469 (E_RNA)
where:
Base-Base interactions energy: -364.180
where: short stacking energy: -170.126
Base-Backbone interact. energy: 4.885
local terms energy: -235.307338
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -71.252
flat angles C4'-P-C4' energy: -54.118
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -30.811
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: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1448.531795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.531795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.531795 (E_RNA)
where:
Base-Base interactions energy: -1029.379
where: short stacking energy: -426.988
Base-Backbone interact. energy: -0.253
local terms energy: -418.900299
where:
bonds (distance) C4'-P energy: -74.512
bonds (distance) P-C4' energy: -74.137
flat angles C4'-P-C4' energy: -97.774
flat angles P-C4'-P energy: -53.286
tors. eta vs tors. theta energy: -119.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1334.479872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.479872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.479872 (E_RNA)
where:
Base-Base interactions energy: -935.577
where: short stacking energy: -397.540
Base-Backbone interact. energy: 0.503
local terms energy: -399.405509
where:
bonds (distance) C4'-P energy: -65.650
bonds (distance) P-C4' energy: -74.752
flat angles C4'-P-C4' energy: -76.469
flat angles P-C4'-P energy: -66.208
tors. eta vs tors. theta energy: -116.326
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: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1273.140675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.140675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.140675 (E_RNA)
where:
Base-Base interactions energy: -901.399
where: short stacking energy: -380.048
Base-Backbone interact. energy: -1.761
local terms energy: -369.980807
where:
bonds (distance) C4'-P energy: -67.172
bonds (distance) P-C4' energy: -61.435
flat angles C4'-P-C4' energy: -78.456
flat angles P-C4'-P energy: -61.820
tors. eta vs tors. theta energy: -101.099
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: 146
Temperature: 1.050000
Total energy: -1237.069695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.069695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.069695 (E_RNA)
where:
Base-Base interactions energy: -874.465
where: short stacking energy: -368.390
Base-Backbone interact. energy: -0.199
local terms energy: -362.405707
where:
bonds (distance) C4'-P energy: -68.483
bonds (distance) P-C4' energy: -65.035
flat angles C4'-P-C4' energy: -75.310
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -110.670
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: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1201.513007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.513007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.513007 (E_RNA)
where:
Base-Base interactions energy: -850.899
where: short stacking energy: -349.455
Base-Backbone interact. energy: -0.988
local terms energy: -349.626078
where:
bonds (distance) C4'-P energy: -60.402
bonds (distance) P-C4' energy: -68.984
flat angles C4'-P-C4' energy: -75.880
flat angles P-C4'-P energy: -50.342
tors. eta vs tors. theta energy: -94.017
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: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1139.364617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.364617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.364617 (E_RNA)
where:
Base-Base interactions energy: -776.291
where: short stacking energy: -340.940
Base-Backbone interact. energy: -3.439
local terms energy: -359.634594
where:
bonds (distance) C4'-P energy: -62.910
bonds (distance) P-C4' energy: -71.017
flat angles C4'-P-C4' energy: -72.434
flat angles P-C4'-P energy: -53.318
tors. eta vs tors. theta energy: -99.956
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: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -983.171207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.171207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.171207 (E_RNA)
where:
Base-Base interactions energy: -666.807
where: short stacking energy: -286.565
Base-Backbone interact. energy: -1.136
local terms energy: -315.227671
where:
bonds (distance) C4'-P energy: -49.658
bonds (distance) P-C4' energy: -64.088
flat angles C4'-P-C4' energy: -73.897
flat angles P-C4'-P energy: -51.348
tors. eta vs tors. theta energy: -76.237
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: 146
Temperature: 1.250000
Total energy: -1035.306305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.306305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.306305 (E_RNA)
where:
Base-Base interactions energy: -706.297
where: short stacking energy: -311.041
Base-Backbone interact. energy: 0.621
local terms energy: -329.629991
where:
bonds (distance) C4'-P energy: -59.755
bonds (distance) P-C4' energy: -82.952
flat angles C4'-P-C4' energy: -69.902
flat angles P-C4'-P energy: -42.912
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: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -787.485895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.485895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.485895 (E_RNA)
where:
Base-Base interactions energy: -523.634
where: short stacking energy: -248.522
Base-Backbone interact. energy: 7.122
local terms energy: -270.974480
where:
bonds (distance) C4'-P energy: -53.862
bonds (distance) P-C4' energy: -63.167
flat angles C4'-P-C4' energy: -70.772
flat angles P-C4'-P energy: -44.846
tors. eta vs tors. theta energy: -38.328
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: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -640.517018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.517018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.517018 (E_RNA)
where:
Base-Base interactions energy: -388.780
where: short stacking energy: -166.618
Base-Backbone interact. energy: 0.861
local terms energy: -252.597759
where:
bonds (distance) C4'-P energy: -62.920
bonds (distance) P-C4' energy: -63.684
flat angles C4'-P-C4' energy: -64.035
flat angles P-C4'-P energy: -39.086
tors. eta vs tors. theta energy: -22.873
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: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1441.858674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.858674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.858674 (E_RNA)
where:
Base-Base interactions energy: -1013.394
where: short stacking energy: -425.453
Base-Backbone interact. energy: -2.157
local terms energy: -426.307258
where:
bonds (distance) C4'-P energy: -68.242
bonds (distance) P-C4' energy: -86.620
flat angles C4'-P-C4' energy: -90.984
flat angles P-C4'-P energy: -64.461
tors. eta vs tors. theta energy: -116.000
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: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1347.002805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.002805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.002805 (E_RNA)
where:
Base-Base interactions energy: -942.434
where: short stacking energy: -398.568
Base-Backbone interact. energy: -0.735
local terms energy: -403.834318
where:
bonds (distance) C4'-P energy: -85.945
bonds (distance) P-C4' energy: -74.898
flat angles C4'-P-C4' energy: -79.723
flat angles P-C4'-P energy: -51.853
tors. eta vs tors. theta energy: -111.415
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: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1269.190823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.190823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.190823 (E_RNA)
where:
Base-Base interactions energy: -880.567
where: short stacking energy: -368.042
Base-Backbone interact. energy: -0.393
local terms energy: -388.230240
where:
bonds (distance) C4'-P energy: -67.370
bonds (distance) P-C4' energy: -78.271
flat angles C4'-P-C4' energy: -83.109
flat angles P-C4'-P energy: -58.948
tors. eta vs tors. theta energy: -100.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1271.488815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.488815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.488815 (E_RNA)
where:
Base-Base interactions energy: -890.565
where: short stacking energy: -391.632
Base-Backbone interact. energy: 0.146
local terms energy: -381.069810
where:
bonds (distance) C4'-P energy: -68.244
bonds (distance) P-C4' energy: -70.983
flat angles C4'-P-C4' energy: -81.480
flat angles P-C4'-P energy: -48.273
tors. eta vs tors. theta energy: -112.089
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: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1198.611220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.611220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.611220 (E_RNA)
where:
Base-Base interactions energy: -853.992
where: short stacking energy: -351.594
Base-Backbone interact. energy: 0.532
local terms energy: -345.151452
where:
bonds (distance) C4'-P energy: -61.785
bonds (distance) P-C4' energy: -64.361
flat angles C4'-P-C4' energy: -69.852
flat angles P-C4'-P energy: -48.607
tors. eta vs tors. theta energy: -100.548
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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1148.691899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.691899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.691899 (E_RNA)
where:
Base-Base interactions energy: -793.679
where: short stacking energy: -329.725
Base-Backbone interact. energy: 0.604
local terms energy: -355.616749
where:
bonds (distance) C4'-P energy: -72.497
bonds (distance) P-C4' energy: -65.481
flat angles C4'-P-C4' energy: -68.119
flat angles P-C4'-P energy: -57.114
tors. eta vs tors. theta energy: -92.405
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: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1031.522471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.522471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.522471 (E_RNA)
where:
Base-Base interactions energy: -725.238
where: short stacking energy: -307.431
Base-Backbone interact. energy: -0.424
local terms energy: -305.860315
where:
bonds (distance) C4'-P energy: -55.607
bonds (distance) P-C4' energy: -60.469
flat angles C4'-P-C4' energy: -67.671
flat angles P-C4'-P energy: -52.761
tors. eta vs tors. theta energy: -69.352
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: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1039.538754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.538754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.538754 (E_RNA)
where:
Base-Base interactions energy: -715.076
where: short stacking energy: -308.813
Base-Backbone interact. energy: -0.391
local terms energy: -324.071598
where:
bonds (distance) C4'-P energy: -57.866
bonds (distance) P-C4' energy: -60.318
flat angles C4'-P-C4' energy: -77.219
flat angles P-C4'-P energy: -48.293
tors. eta vs tors. theta energy: -80.376
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: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -789.798856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.798856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.798856 (E_RNA)
where:
Base-Base interactions energy: -534.077
where: short stacking energy: -232.493
Base-Backbone interact. energy: 2.096
local terms energy: -257.817656
where:
bonds (distance) C4'-P energy: -59.362
bonds (distance) P-C4' energy: -61.255
flat angles C4'-P-C4' energy: -55.650
flat angles P-C4'-P energy: -37.800
tors. eta vs tors. theta energy: -43.750
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: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -572.945467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.945467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.945467 (E_RNA)
where:
Base-Base interactions energy: -369.074
where: short stacking energy: -171.021
Base-Backbone interact. energy: -0.544
local terms energy: -203.327593
where:
bonds (distance) C4'-P energy: -44.831
bonds (distance) P-C4' energy: -61.539
flat angles C4'-P-C4' energy: -57.041
flat angles P-C4'-P energy: -27.563
tors. eta vs tors. theta energy: -12.353
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: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1428.049927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.049927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.049927 (E_RNA)
where:
Base-Base interactions energy: -1021.144
where: short stacking energy: -415.682
Base-Backbone interact. energy: -0.954
local terms energy: -405.952095
where:
bonds (distance) C4'-P energy: -69.087
bonds (distance) P-C4' energy: -72.710
flat angles C4'-P-C4' energy: -91.269
flat angles P-C4'-P energy: -59.441
tors. eta vs tors. theta energy: -113.446
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: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1313.993040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.993040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.993040 (E_RNA)
where:
Base-Base interactions energy: -923.024
where: short stacking energy: -375.385
Base-Backbone interact. energy: -2.526
local terms energy: -388.442525
where:
bonds (distance) C4'-P energy: -76.947
bonds (distance) P-C4' energy: -65.161
flat angles C4'-P-C4' energy: -83.771
flat angles P-C4'-P energy: -51.658
tors. eta vs tors. theta energy: -110.906
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: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1290.869028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.869028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.869028 (E_RNA)
where:
Base-Base interactions energy: -902.511
where: short stacking energy: -397.659
Base-Backbone interact. energy: -1.963
local terms energy: -386.394748
where:
bonds (distance) C4'-P energy: -70.745
bonds (distance) P-C4' energy: -60.166
flat angles C4'-P-C4' energy: -86.022
flat angles P-C4'-P energy: -54.213
tors. eta vs tors. theta energy: -115.249
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: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1226.483484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.483484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.483484 (E_RNA)
where:
Base-Base interactions energy: -852.770
where: short stacking energy: -362.489
Base-Backbone interact. energy: -1.607
local terms energy: -372.107121
where:
bonds (distance) C4'-P energy: -66.411
bonds (distance) P-C4' energy: -77.985
flat angles C4'-P-C4' energy: -75.325
flat angles P-C4'-P energy: -51.101
tors. eta vs tors. theta energy: -101.285
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: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1179.475080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.475080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.475080 (E_RNA)
where:
Base-Base interactions energy: -814.375
where: short stacking energy: -375.191
Base-Backbone interact. energy: 0.761
local terms energy: -365.861350
where:
bonds (distance) C4'-P energy: -66.384
bonds (distance) P-C4' energy: -61.009
flat angles C4'-P-C4' energy: -80.194
flat angles P-C4'-P energy: -49.452
tors. eta vs tors. theta energy: -108.822
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: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1179.532763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.532763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.532763 (E_RNA)
where:
Base-Base interactions energy: -826.078
where: short stacking energy: -339.630
Base-Backbone interact. energy: -1.397
local terms energy: -352.057308
where:
bonds (distance) C4'-P energy: -68.784
bonds (distance) P-C4' energy: -72.435
flat angles C4'-P-C4' energy: -72.533
flat angles P-C4'-P energy: -45.188
tors. eta vs tors. theta energy: -93.117
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: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1027.846168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.846168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.846168 (E_RNA)
where:
Base-Base interactions energy: -711.795
where: short stacking energy: -303.181
Base-Backbone interact. energy: -0.801
local terms energy: -315.249481
where:
bonds (distance) C4'-P energy: -61.863
bonds (distance) P-C4' energy: -70.017
flat angles C4'-P-C4' energy: -66.675
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -76.055
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: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1046.409251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.409251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.409251 (E_RNA)
where:
Base-Base interactions energy: -731.776
where: short stacking energy: -304.089
Base-Backbone interact. energy: 0.909
local terms energy: -315.542435
where:
bonds (distance) C4'-P energy: -48.553
bonds (distance) P-C4' energy: -65.225
flat angles C4'-P-C4' energy: -70.749
flat angles P-C4'-P energy: -39.560
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: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -824.894154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.894154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.894154 (E_RNA)
where:
Base-Base interactions energy: -565.008
where: short stacking energy: -232.277
Base-Backbone interact. energy: -0.344
local terms energy: -259.542233
where:
bonds (distance) C4'-P energy: -44.174
bonds (distance) P-C4' energy: -64.151
flat angles C4'-P-C4' energy: -60.301
flat angles P-C4'-P energy: -38.914
tors. eta vs tors. theta energy: -52.003
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: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -623.106804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.106804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.106804 (E_RNA)
where:
Base-Base interactions energy: -403.487
where: short stacking energy: -182.503
Base-Backbone interact. energy: -0.956
local terms energy: -218.663712
where:
bonds (distance) C4'-P energy: -40.497
bonds (distance) P-C4' energy: -70.018
flat angles C4'-P-C4' energy: -55.877
flat angles P-C4'-P energy: -30.344
tors. eta vs tors. theta energy: -21.928
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: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1445.307291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.307291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.307291 (E_RNA)
where:
Base-Base interactions energy: -1040.086
where: short stacking energy: -416.925
Base-Backbone interact. energy: -2.523
local terms energy: -402.698471
where:
bonds (distance) C4'-P energy: -69.475
bonds (distance) P-C4' energy: -73.315
flat angles C4'-P-C4' energy: -90.841
flat angles P-C4'-P energy: -56.801
tors. eta vs tors. theta energy: -112.266
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: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1334.581823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.581823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.581823 (E_RNA)
where:
Base-Base interactions energy: -936.867
where: short stacking energy: -388.591
Base-Backbone interact. energy: 0.961
local terms energy: -398.675495
where:
bonds (distance) C4'-P energy: -66.389
bonds (distance) P-C4' energy: -83.500
flat angles C4'-P-C4' energy: -82.621
flat angles P-C4'-P energy: -57.595
tors. eta vs tors. theta energy: -108.571
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: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1291.972782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.972782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.972782 (E_RNA)
where:
Base-Base interactions energy: -921.224
where: short stacking energy: -406.337
Base-Backbone interact. energy: -1.253
local terms energy: -369.494998
where:
bonds (distance) C4'-P energy: -57.776
bonds (distance) P-C4' energy: -67.631
flat angles C4'-P-C4' energy: -74.458
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -116.993
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: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1233.721645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.721645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.721645 (E_RNA)
where:
Base-Base interactions energy: -866.561
where: short stacking energy: -360.485
Base-Backbone interact. energy: -1.669
local terms energy: -365.492201
where:
bonds (distance) C4'-P energy: -65.988
bonds (distance) P-C4' energy: -71.528
flat angles C4'-P-C4' energy: -82.045
flat angles P-C4'-P energy: -51.393
tors. eta vs tors. theta energy: -94.540
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: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1173.199586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.199586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.199586 (E_RNA)
where:
Base-Base interactions energy: -830.913
where: short stacking energy: -367.267
Base-Backbone interact. energy: -2.821
local terms energy: -339.465672
where:
bonds (distance) C4'-P energy: -56.072
bonds (distance) P-C4' energy: -57.380
flat angles C4'-P-C4' energy: -74.808
flat angles P-C4'-P energy: -48.417
tors. eta vs tors. theta energy: -102.789
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: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1175.609118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.609118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.609118 (E_RNA)
where:
Base-Base interactions energy: -828.898
where: short stacking energy: -325.917
Base-Backbone interact. energy: -2.880
local terms energy: -343.831198
where:
bonds (distance) C4'-P energy: -56.918
bonds (distance) P-C4' energy: -68.151
flat angles C4'-P-C4' energy: -76.125
flat angles P-C4'-P energy: -44.904
tors. eta vs tors. theta energy: -97.733
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: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -987.573212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.573212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.573212 (E_RNA)
where:
Base-Base interactions energy: -684.340
where: short stacking energy: -278.744
Base-Backbone interact. energy: -1.677
local terms energy: -301.555845
where:
bonds (distance) C4'-P energy: -60.145
bonds (distance) P-C4' energy: -62.936
flat angles C4'-P-C4' energy: -69.377
flat angles P-C4'-P energy: -46.489
tors. eta vs tors. theta energy: -62.609
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: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1034.139484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.139484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.139484 (E_RNA)
where:
Base-Base interactions energy: -717.022
where: short stacking energy: -299.898
Base-Backbone interact. energy: -0.393
local terms energy: -316.724563
where:
bonds (distance) C4'-P energy: -56.530
bonds (distance) P-C4' energy: -66.167
flat angles C4'-P-C4' energy: -75.636
flat angles P-C4'-P energy: -37.121
tors. eta vs tors. theta energy: -81.272
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: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -796.438365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.438365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.438365 (E_RNA)
where:
Base-Base interactions energy: -498.618
where: short stacking energy: -206.791
Base-Backbone interact. energy: -0.922
local terms energy: -296.898609
where:
bonds (distance) C4'-P energy: -55.893
bonds (distance) P-C4' energy: -70.916
flat angles C4'-P-C4' energy: -67.383
flat angles P-C4'-P energy: -46.172
tors. eta vs tors. theta energy: -56.535
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: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -716.145983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.145983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.145983 (E_RNA)
where:
Base-Base interactions energy: -471.093
where: short stacking energy: -214.554
Base-Backbone interact. energy: 0.674
local terms energy: -245.727017
where:
bonds (distance) C4'-P energy: -58.319
bonds (distance) P-C4' energy: -50.514
flat angles C4'-P-C4' energy: -60.118
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -40.387
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: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1440.867757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.867757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.867757 (E_RNA)
where:
Base-Base interactions energy: -1021.055
where: short stacking energy: -428.613
Base-Backbone interact. energy: -2.394
local terms energy: -417.419323
where:
bonds (distance) C4'-P energy: -69.150
bonds (distance) P-C4' energy: -83.313
flat angles C4'-P-C4' energy: -90.887
flat angles P-C4'-P energy: -60.304
tors. eta vs tors. theta energy: -113.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1341.092587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.092587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.092587 (E_RNA)
where:
Base-Base interactions energy: -932.217
where: short stacking energy: -379.840
Base-Backbone interact. energy: -0.510
local terms energy: -408.365334
where:
bonds (distance) C4'-P energy: -75.837
bonds (distance) P-C4' energy: -71.858
flat angles C4'-P-C4' energy: -82.625
flat angles P-C4'-P energy: -67.333
tors. eta vs tors. theta energy: -110.712
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: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1302.655117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.655117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.655117 (E_RNA)
where:
Base-Base interactions energy: -908.368
where: short stacking energy: -393.226
Base-Backbone interact. energy: -0.276
local terms energy: -394.011315
where:
bonds (distance) C4'-P energy: -70.918
bonds (distance) P-C4' energy: -63.798
flat angles C4'-P-C4' energy: -86.559
flat angles P-C4'-P energy: -53.505
tors. eta vs tors. theta energy: -119.232
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: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1203.476901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.476901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.476901 (E_RNA)
where:
Base-Base interactions energy: -842.169
where: short stacking energy: -356.977
Base-Backbone interact. energy: -1.736
local terms energy: -359.571755
where:
bonds (distance) C4'-P energy: -66.053
bonds (distance) P-C4' energy: -67.846
flat angles C4'-P-C4' energy: -82.839
flat angles P-C4'-P energy: -50.911
tors. eta vs tors. theta energy: -91.923
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: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1204.677782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.677782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.677782 (E_RNA)
where:
Base-Base interactions energy: -856.522
where: short stacking energy: -370.050
Base-Backbone interact. energy: -1.738
local terms energy: -346.417486
where:
bonds (distance) C4'-P energy: -65.489
bonds (distance) P-C4' energy: -66.715
flat angles C4'-P-C4' energy: -79.104
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -97.984
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: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1132.498638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.498638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.498638 (E_RNA)
where:
Base-Base interactions energy: -815.946
where: short stacking energy: -338.464
Base-Backbone interact. energy: 0.585
local terms energy: -317.138123
where:
bonds (distance) C4'-P energy: -64.341
bonds (distance) P-C4' energy: -60.421
flat angles C4'-P-C4' energy: -72.256
flat angles P-C4'-P energy: -37.746
tors. eta vs tors. theta energy: -82.374
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: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1054.000918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.000918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.000918 (E_RNA)
where:
Base-Base interactions energy: -750.331
where: short stacking energy: -332.622
Base-Backbone interact. energy: -0.942
local terms energy: -302.728253
where:
bonds (distance) C4'-P energy: -51.089
bonds (distance) P-C4' energy: -57.616
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -48.454
tors. eta vs tors. theta energy: -78.279
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: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -962.493012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.493012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.493012 (E_RNA)
where:
Base-Base interactions energy: -671.211
where: short stacking energy: -284.872
Base-Backbone interact. energy: 0.887
local terms energy: -292.169331
where:
bonds (distance) C4'-P energy: -64.934
bonds (distance) P-C4' energy: -49.436
flat angles C4'-P-C4' energy: -66.100
flat angles P-C4'-P energy: -37.165
tors. eta vs tors. theta energy: -74.535
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: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -767.348897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.348897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.348897 (E_RNA)
where:
Base-Base interactions energy: -504.989
where: short stacking energy: -225.428
Base-Backbone interact. energy: -0.293
local terms energy: -262.067291
where:
bonds (distance) C4'-P energy: -60.675
bonds (distance) P-C4' energy: -74.615
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -42.585
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: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -700.510988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.510988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.510988 (E_RNA)
where:
Base-Base interactions energy: -472.072
where: short stacking energy: -191.661
Base-Backbone interact. energy: 2.872
local terms energy: -231.311145
where:
bonds (distance) C4'-P energy: -59.116
bonds (distance) P-C4' energy: -50.682
flat angles C4'-P-C4' energy: -52.717
flat angles P-C4'-P energy: -39.694
tors. eta vs tors. theta energy: -29.102
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: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1421.983390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.983390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.983390 (E_RNA)
where:
Base-Base interactions energy: -1012.913
where: short stacking energy: -439.729
Base-Backbone interact. energy: 0.440
local terms energy: -409.510899
where:
bonds (distance) C4'-P energy: -64.582
bonds (distance) P-C4' energy: -85.679
flat angles C4'-P-C4' energy: -85.643
flat angles P-C4'-P energy: -55.520
tors. eta vs tors. theta energy: -118.086
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: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1342.597867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.597867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.597867 (E_RNA)
where:
Base-Base interactions energy: -954.771
where: short stacking energy: -409.578
Base-Backbone interact. energy: -0.542
local terms energy: -387.284413
where:
bonds (distance) C4'-P energy: -67.484
bonds (distance) P-C4' energy: -79.877
flat angles C4'-P-C4' energy: -74.859
flat angles P-C4'-P energy: -52.128
tors. eta vs tors. theta energy: -112.935
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: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1267.127279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.127279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.127279 (E_RNA)
where:
Base-Base interactions energy: -895.141
where: short stacking energy: -386.579
Base-Backbone interact. energy: -2.456
local terms energy: -369.530294
where:
bonds (distance) C4'-P energy: -65.387
bonds (distance) P-C4' energy: -61.942
flat angles C4'-P-C4' energy: -80.274
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: -114.388
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: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1207.476095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.476095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.476095 (E_RNA)
where:
Base-Base interactions energy: -850.802
where: short stacking energy: -358.465
Base-Backbone interact. energy: -2.780
local terms energy: -353.893695
where:
bonds (distance) C4'-P energy: -54.709
bonds (distance) P-C4' energy: -69.749
flat angles C4'-P-C4' energy: -82.293
flat angles P-C4'-P energy: -55.217
tors. eta vs tors. theta energy: -91.925
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: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1225.340868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.340868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.340868 (E_RNA)
where:
Base-Base interactions energy: -855.616
where: short stacking energy: -335.142
Base-Backbone interact. energy: -1.151
local terms energy: -368.573607
where:
bonds (distance) C4'-P energy: -66.846
bonds (distance) P-C4' energy: -78.715
flat angles C4'-P-C4' energy: -73.520
flat angles P-C4'-P energy: -49.662
tors. eta vs tors. theta energy: -99.830
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: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1108.759341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.759341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.759341 (E_RNA)
where:
Base-Base interactions energy: -774.501
where: short stacking energy: -329.530
Base-Backbone interact. energy: 0.776
local terms energy: -335.034381
where:
bonds (distance) C4'-P energy: -63.095
bonds (distance) P-C4' energy: -62.733
flat angles C4'-P-C4' energy: -72.834
flat angles P-C4'-P energy: -51.873
tors. eta vs tors. theta energy: -84.499
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: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1074.280475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.280475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.280475 (E_RNA)
where:
Base-Base interactions energy: -745.324
where: short stacking energy: -301.368
Base-Backbone interact. energy: -1.165
local terms energy: -327.791494
where:
bonds (distance) C4'-P energy: -64.375
bonds (distance) P-C4' energy: -63.776
flat angles C4'-P-C4' energy: -71.459
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -87.064
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: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -946.001046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.001046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.001046 (E_RNA)
where:
Base-Base interactions energy: -659.720
where: short stacking energy: -261.810
Base-Backbone interact. energy: 4.560
local terms energy: -290.840537
where:
bonds (distance) C4'-P energy: -59.820
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -65.578
flat angles P-C4'-P energy: -43.091
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: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -774.783619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.783619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.783619 (E_RNA)
where:
Base-Base interactions energy: -509.344
where: short stacking energy: -187.102
Base-Backbone interact. energy: 5.719
local terms energy: -271.158320
where:
bonds (distance) C4'-P energy: -51.361
bonds (distance) P-C4' energy: -77.799
flat angles C4'-P-C4' energy: -58.589
flat angles P-C4'-P energy: -53.376
tors. eta vs tors. theta energy: -30.033
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: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -685.174507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.174507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.174507 (E_RNA)
where:
Base-Base interactions energy: -449.737
where: short stacking energy: -199.921
Base-Backbone interact. energy: -1.204
local terms energy: -234.233854
where:
bonds (distance) C4'-P energy: -47.483
bonds (distance) P-C4' energy: -67.328
flat angles C4'-P-C4' energy: -53.251
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -30.292
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: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1431.922401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.922401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.922401 (E_RNA)
where:
Base-Base interactions energy: -1022.818
where: short stacking energy: -437.453
Base-Backbone interact. energy: -0.895
local terms energy: -408.209142
where:
bonds (distance) C4'-P energy: -66.749
bonds (distance) P-C4' energy: -76.492
flat angles C4'-P-C4' energy: -88.929
flat angles P-C4'-P energy: -61.101
tors. eta vs tors. theta energy: -114.937
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: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1344.125320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.125320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.125320 (E_RNA)
where:
Base-Base interactions energy: -939.394
where: short stacking energy: -412.770
Base-Backbone interact. energy: -0.785
local terms energy: -403.946042
where:
bonds (distance) C4'-P energy: -73.607
bonds (distance) P-C4' energy: -76.159
flat angles C4'-P-C4' energy: -76.166
flat angles P-C4'-P energy: -57.067
tors. eta vs tors. theta energy: -120.947
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: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1291.599026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.599026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.599026 (E_RNA)
where:
Base-Base interactions energy: -879.573
where: short stacking energy: -382.010
Base-Backbone interact. energy: -1.567
local terms energy: -410.459421
where:
bonds (distance) C4'-P energy: -71.677
bonds (distance) P-C4' energy: -85.700
flat angles C4'-P-C4' energy: -85.980
flat angles P-C4'-P energy: -49.196
tors. eta vs tors. theta energy: -117.908
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: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1212.428569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.428569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.428569 (E_RNA)
where:
Base-Base interactions energy: -848.732
where: short stacking energy: -356.975
Base-Backbone interact. energy: -1.096
local terms energy: -362.600515
where:
bonds (distance) C4'-P energy: -60.801
bonds (distance) P-C4' energy: -79.210
flat angles C4'-P-C4' energy: -70.965
flat angles P-C4'-P energy: -61.685
tors. eta vs tors. theta energy: -89.940
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: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1198.258325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.258325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.258325 (E_RNA)
where:
Base-Base interactions energy: -843.363
where: short stacking energy: -348.640
Base-Backbone interact. energy: 0.127
local terms energy: -355.022383
where:
bonds (distance) C4'-P energy: -70.361
bonds (distance) P-C4' energy: -71.796
flat angles C4'-P-C4' energy: -77.587
flat angles P-C4'-P energy: -46.020
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: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1130.950130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.950130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.950130 (E_RNA)
where:
Base-Base interactions energy: -797.629
where: short stacking energy: -346.055
Base-Backbone interact. energy: -1.263
local terms energy: -332.057630
where:
bonds (distance) C4'-P energy: -46.356
bonds (distance) P-C4' energy: -65.686
flat angles C4'-P-C4' energy: -72.202
flat angles P-C4'-P energy: -55.726
tors. eta vs tors. theta energy: -92.088
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: 152
Temperature: 1.200000
Total energy: -1088.043432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.043432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.043432 (E_RNA)
where:
Base-Base interactions energy: -769.814
where: short stacking energy: -309.363
Base-Backbone interact. energy: -0.565
local terms energy: -317.664038
where:
bonds (distance) C4'-P energy: -66.881
bonds (distance) P-C4' energy: -47.360
flat angles C4'-P-C4' energy: -77.056
flat angles P-C4'-P energy: -33.799
tors. eta vs tors. theta energy: -92.568
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: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -944.231872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.231872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.231872 (E_RNA)
where:
Base-Base interactions energy: -669.087
where: short stacking energy: -292.702
Base-Backbone interact. energy: 4.612
local terms energy: -279.757513
where:
bonds (distance) C4'-P energy: -49.382
bonds (distance) P-C4' energy: -49.680
flat angles C4'-P-C4' energy: -75.608
flat angles P-C4'-P energy: -32.689
tors. eta vs tors. theta energy: -72.397
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: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -731.264880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.264880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.264880 (E_RNA)
where:
Base-Base interactions energy: -481.344
where: short stacking energy: -215.428
Base-Backbone interact. energy: -1.482
local terms energy: -248.439050
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -51.252
flat angles C4'-P-C4' energy: -66.426
flat angles P-C4'-P energy: -44.771
tors. eta vs tors. theta energy: -35.278
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: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -651.244021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.244021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.244021 (E_RNA)
where:
Base-Base interactions energy: -418.731
where: short stacking energy: -187.795
Base-Backbone interact. energy: -0.402
local terms energy: -232.110872
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -62.078
flat angles C4'-P-C4' energy: -53.815
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -26.595
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: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1447.698916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.698916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.698916 (E_RNA)
where:
Base-Base interactions energy: -1022.998
where: short stacking energy: -429.958
Base-Backbone interact. energy: -1.384
local terms energy: -423.317351
where:
bonds (distance) C4'-P energy: -77.717
bonds (distance) P-C4' energy: -80.238
flat angles C4'-P-C4' energy: -91.766
flat angles P-C4'-P energy: -56.438
tors. eta vs tors. theta energy: -117.159
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: 2, replica: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1342.267929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.267929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.267929 (E_RNA)
where:
Base-Base interactions energy: -925.003
where: short stacking energy: -399.852
Base-Backbone interact. energy: -0.434
local terms energy: -416.830972
where:
bonds (distance) C4'-P energy: -69.568
bonds (distance) P-C4' energy: -79.874
flat angles C4'-P-C4' energy: -91.752
flat angles P-C4'-P energy: -63.304
tors. eta vs tors. theta energy: -112.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1304.740415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.740415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.740415 (E_RNA)
where:
Base-Base interactions energy: -926.979
where: short stacking energy: -385.854
Base-Backbone interact. energy: 4.284
local terms energy: -382.045271
where:
bonds (distance) C4'-P energy: -73.122
bonds (distance) P-C4' energy: -75.940
flat angles C4'-P-C4' energy: -76.743
flat angles P-C4'-P energy: -49.513
tors. eta vs tors. theta energy: -106.727
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: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1247.664365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.664365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.664365 (E_RNA)
where:
Base-Base interactions energy: -877.836
where: short stacking energy: -385.859
Base-Backbone interact. energy: -0.870
local terms energy: -368.958803
where:
bonds (distance) C4'-P energy: -68.091
bonds (distance) P-C4' energy: -65.318
flat angles C4'-P-C4' energy: -71.011
flat angles P-C4'-P energy: -55.678
tors. eta vs tors. theta energy: -108.860
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: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1178.616951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.616951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.616951 (E_RNA)
where:
Base-Base interactions energy: -833.788
where: short stacking energy: -358.221
Base-Backbone interact. energy: -1.713
local terms energy: -343.115660
where:
bonds (distance) C4'-P energy: -59.394
bonds (distance) P-C4' energy: -63.233
flat angles C4'-P-C4' energy: -77.260
flat angles P-C4'-P energy: -51.003
tors. eta vs tors. theta energy: -92.226
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: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1167.049713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.049713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.049713 (E_RNA)
where:
Base-Base interactions energy: -819.160
where: short stacking energy: -339.834
Base-Backbone interact. energy: -0.541
local terms energy: -347.348712
where:
bonds (distance) C4'-P energy: -63.719
bonds (distance) P-C4' energy: -65.527
flat angles C4'-P-C4' energy: -80.991
flat angles P-C4'-P energy: -47.366
tors. eta vs tors. theta energy: -89.745
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: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1105.905780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.905780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.905780 (E_RNA)
where:
Base-Base interactions energy: -764.439
where: short stacking energy: -341.089
Base-Backbone interact. energy: -0.491
local terms energy: -340.975585
where:
bonds (distance) C4'-P energy: -60.130
bonds (distance) P-C4' energy: -66.663
flat angles C4'-P-C4' energy: -72.267
flat angles P-C4'-P energy: -46.869
tors. eta vs tors. theta energy: -95.047
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: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -984.634617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.634617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.634617 (E_RNA)
where:
Base-Base interactions energy: -682.628
where: short stacking energy: -290.399
Base-Backbone interact. energy: 3.442
local terms energy: -305.448965
where:
bonds (distance) C4'-P energy: -52.352
bonds (distance) P-C4' energy: -63.873
flat angles C4'-P-C4' energy: -68.215
flat angles P-C4'-P energy: -50.876
tors. eta vs tors. theta energy: -70.132
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: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -719.303180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.303180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.303180 (E_RNA)
where:
Base-Base interactions energy: -445.704
where: short stacking energy: -197.899
Base-Backbone interact. energy: -3.989
local terms energy: -269.609577
where:
bonds (distance) C4'-P energy: -63.550
bonds (distance) P-C4' energy: -73.359
flat angles C4'-P-C4' energy: -59.472
flat angles P-C4'-P energy: -29.143
tors. eta vs tors. theta energy: -44.086
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: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -658.135408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.135408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.135408 (E_RNA)
where:
Base-Base interactions energy: -426.473
where: short stacking energy: -181.683
Base-Backbone interact. energy: 1.607
local terms energy: -233.268946
where:
bonds (distance) C4'-P energy: -44.720
bonds (distance) P-C4' energy: -68.168
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -34.372
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: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1435.465098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.465098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.465098 (E_RNA)
where:
Base-Base interactions energy: -1025.156
where: short stacking energy: -431.751
Base-Backbone interact. energy: -0.485
local terms energy: -409.824158
where:
bonds (distance) C4'-P energy: -73.425
bonds (distance) P-C4' energy: -76.011
flat angles C4'-P-C4' energy: -86.422
flat angles P-C4'-P energy: -57.713
tors. eta vs tors. theta energy: -116.254
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: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1301.885463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.885463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.885463 (E_RNA)
where:
Base-Base interactions energy: -899.807
where: short stacking energy: -387.958
Base-Backbone interact. energy: -1.401
local terms energy: -400.676668
where:
bonds (distance) C4'-P energy: -70.051
bonds (distance) P-C4' energy: -72.688
flat angles C4'-P-C4' energy: -83.493
flat angles P-C4'-P energy: -57.052
tors. eta vs tors. theta energy: -117.392
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: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1299.008921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.008921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.008921 (E_RNA)
where:
Base-Base interactions energy: -901.685
where: short stacking energy: -383.218
Base-Backbone interact. energy: -0.857
local terms energy: -396.467255
where:
bonds (distance) C4'-P energy: -70.015
bonds (distance) P-C4' energy: -79.879
flat angles C4'-P-C4' energy: -84.260
flat angles P-C4'-P energy: -52.736
tors. eta vs tors. theta energy: -109.577
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: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1244.921239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.921239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.921239 (E_RNA)
where:
Base-Base interactions energy: -873.828
where: short stacking energy: -356.133
Base-Backbone interact. energy: -0.359
local terms energy: -370.734199
where:
bonds (distance) C4'-P energy: -70.519
bonds (distance) P-C4' energy: -68.236
flat angles C4'-P-C4' energy: -79.033
flat angles P-C4'-P energy: -56.416
tors. eta vs tors. theta energy: -96.531
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: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1179.472971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.472971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.472971 (E_RNA)
where:
Base-Base interactions energy: -825.439
where: short stacking energy: -338.722
Base-Backbone interact. energy: 1.597
local terms energy: -355.631646
where:
bonds (distance) C4'-P energy: -67.438
bonds (distance) P-C4' energy: -68.741
flat angles C4'-P-C4' energy: -86.270
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -91.221
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: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1154.210902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.210902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.210902 (E_RNA)
where:
Base-Base interactions energy: -805.164
where: short stacking energy: -342.043
Base-Backbone interact. energy: -1.124
local terms energy: -347.922943
where:
bonds (distance) C4'-P energy: -57.726
bonds (distance) P-C4' energy: -66.190
flat angles C4'-P-C4' energy: -75.423
flat angles P-C4'-P energy: -55.834
tors. eta vs tors. theta energy: -92.750
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: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1026.077980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.077980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.077980 (E_RNA)
where:
Base-Base interactions energy: -692.357
where: short stacking energy: -299.412
Base-Backbone interact. energy: -1.402
local terms energy: -332.319137
where:
bonds (distance) C4'-P energy: -67.463
bonds (distance) P-C4' energy: -68.363
flat angles C4'-P-C4' energy: -79.795
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -71.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1049.381313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.381313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.381313 (E_RNA)
where:
Base-Base interactions energy: -730.339
where: short stacking energy: -334.965
Base-Backbone interact. energy: 0.229
local terms energy: -319.271128
where:
bonds (distance) C4'-P energy: -63.535
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -47.522
tors. eta vs tors. theta energy: -87.256
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: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -711.605030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.605030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.605030 (E_RNA)
where:
Base-Base interactions energy: -446.435
where: short stacking energy: -192.863
Base-Backbone interact. energy: -1.697
local terms energy: -263.473192
where:
bonds (distance) C4'-P energy: -58.496
bonds (distance) P-C4' energy: -66.510
flat angles C4'-P-C4' energy: -55.263
flat angles P-C4'-P energy: -42.541
tors. eta vs tors. theta energy: -40.662
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: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -628.501984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.501984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.501984 (E_RNA)
where:
Base-Base interactions energy: -389.850
where: short stacking energy: -184.691
Base-Backbone interact. energy: -1.078
local terms energy: -237.573627
where:
bonds (distance) C4'-P energy: -49.407
bonds (distance) P-C4' energy: -65.012
flat angles C4'-P-C4' energy: -64.936
flat angles P-C4'-P energy: -37.919
tors. eta vs tors. theta energy: -20.300
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: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1443.677518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.677518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.677518 (E_RNA)
where:
Base-Base interactions energy: -1016.307
where: short stacking energy: -430.891
Base-Backbone interact. energy: -0.158
local terms energy: -427.212789
where:
bonds (distance) C4'-P energy: -72.659
bonds (distance) P-C4' energy: -85.787
flat angles C4'-P-C4' energy: -92.002
flat angles P-C4'-P energy: -56.957
tors. eta vs tors. theta energy: -119.808
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: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1341.488662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.488662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.488662 (E_RNA)
where:
Base-Base interactions energy: -946.659
where: short stacking energy: -401.730
Base-Backbone interact. energy: 0.851
local terms energy: -395.680992
where:
bonds (distance) C4'-P energy: -70.335
bonds (distance) P-C4' energy: -82.850
flat angles C4'-P-C4' energy: -75.907
flat angles P-C4'-P energy: -49.896
tors. eta vs tors. theta energy: -116.693
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: 155
Temperature: 1.000000
Total energy: -1305.324528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.324528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.324528 (E_RNA)
where:
Base-Base interactions energy: -941.604
where: short stacking energy: -404.346
Base-Backbone interact. energy: -1.830
local terms energy: -361.890557
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -62.167
flat angles C4'-P-C4' energy: -72.791
flat angles P-C4'-P energy: -51.313
tors. eta vs tors. theta energy: -110.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1234.926238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.926238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.926238 (E_RNA)
where:
Base-Base interactions energy: -867.636
where: short stacking energy: -368.423
Base-Backbone interact. energy: -0.660
local terms energy: -366.629598
where:
bonds (distance) C4'-P energy: -64.790
bonds (distance) P-C4' energy: -67.705
flat angles C4'-P-C4' energy: -78.591
flat angles P-C4'-P energy: -50.131
tors. eta vs tors. theta energy: -105.413
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: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1162.536057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.536057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.536057 (E_RNA)
where:
Base-Base interactions energy: -821.019
where: short stacking energy: -340.962
Base-Backbone interact. energy: -1.701
local terms energy: -339.815471
where:
bonds (distance) C4'-P energy: -63.911
bonds (distance) P-C4' energy: -74.578
flat angles C4'-P-C4' energy: -78.829
flat angles P-C4'-P energy: -34.658
tors. eta vs tors. theta energy: -87.839
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: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1166.331137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.331137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.331137 (E_RNA)
where:
Base-Base interactions energy: -827.344
where: short stacking energy: -347.517
Base-Backbone interact. energy: -1.406
local terms energy: -337.580934
where:
bonds (distance) C4'-P energy: -61.919
bonds (distance) P-C4' energy: -61.414
flat angles C4'-P-C4' energy: -65.602
flat angles P-C4'-P energy: -43.183
tors. eta vs tors. theta energy: -105.464
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: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1047.551730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.551730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.551730 (E_RNA)
where:
Base-Base interactions energy: -710.092
where: short stacking energy: -312.358
Base-Backbone interact. energy: 1.404
local terms energy: -338.863373
where:
bonds (distance) C4'-P energy: -61.205
bonds (distance) P-C4' energy: -78.467
flat angles C4'-P-C4' energy: -77.826
flat angles P-C4'-P energy: -41.957
tors. eta vs tors. theta energy: -79.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1043.923588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.923588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.923588 (E_RNA)
where:
Base-Base interactions energy: -734.429
where: short stacking energy: -314.452
Base-Backbone interact. energy: -0.214
local terms energy: -309.280546
where:
bonds (distance) C4'-P energy: -51.436
bonds (distance) P-C4' energy: -51.592
flat angles C4'-P-C4' energy: -73.452
flat angles P-C4'-P energy: -47.404
tors. eta vs tors. theta energy: -85.396
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: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -687.811769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.811769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.811769 (E_RNA)
where:
Base-Base interactions energy: -452.865
where: short stacking energy: -213.474
Base-Backbone interact. energy: -0.798
local terms energy: -234.148949
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -54.522
flat angles P-C4'-P energy: -38.131
tors. eta vs tors. theta energy: -46.526
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: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -624.227900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.227900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.227900 (E_RNA)
where:
Base-Base interactions energy: -387.715
where: short stacking energy: -175.220
Base-Backbone interact. energy: 5.078
local terms energy: -241.590442
where:
bonds (distance) C4'-P energy: -58.104
bonds (distance) P-C4' energy: -67.006
flat angles C4'-P-C4' energy: -47.884
flat angles P-C4'-P energy: -42.112
tors. eta vs tors. theta energy: -26.485
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: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1435.097072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.097072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.097072 (E_RNA)
where:
Base-Base interactions energy: -1017.990
where: short stacking energy: -429.483
Base-Backbone interact. energy: -1.203
local terms energy: -415.904124
where:
bonds (distance) C4'-P energy: -77.893
bonds (distance) P-C4' energy: -75.387
flat angles C4'-P-C4' energy: -88.957
flat angles P-C4'-P energy: -55.838
tors. eta vs tors. theta energy: -117.829
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: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1334.888823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.888823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.888823 (E_RNA)
where:
Base-Base interactions energy: -941.857
where: short stacking energy: -416.052
Base-Backbone interact. energy: -0.341
local terms energy: -392.691144
where:
bonds (distance) C4'-P energy: -68.636
bonds (distance) P-C4' energy: -65.088
flat angles C4'-P-C4' energy: -85.326
flat angles P-C4'-P energy: -55.331
tors. eta vs tors. theta energy: -118.311
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: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1260.037069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.037069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.037069 (E_RNA)
where:
Base-Base interactions energy: -885.778
where: short stacking energy: -368.050
Base-Backbone interact. energy: -0.943
local terms energy: -373.316104
where:
bonds (distance) C4'-P energy: -74.702
bonds (distance) P-C4' energy: -73.969
flat angles C4'-P-C4' energy: -71.475
flat angles P-C4'-P energy: -53.938
tors. eta vs tors. theta energy: -99.233
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: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1250.783474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.783474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.783474 (E_RNA)
where:
Base-Base interactions energy: -861.592
where: short stacking energy: -377.367
Base-Backbone interact. energy: -2.082
local terms energy: -387.109470
where:
bonds (distance) C4'-P energy: -64.104
bonds (distance) P-C4' energy: -71.383
flat angles C4'-P-C4' energy: -84.492
flat angles P-C4'-P energy: -54.843
tors. eta vs tors. theta energy: -112.286
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: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1151.399613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.399613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.399613 (E_RNA)
where:
Base-Base interactions energy: -809.050
where: short stacking energy: -344.748
Base-Backbone interact. energy: 0.088
local terms energy: -342.437377
where:
bonds (distance) C4'-P energy: -67.496
bonds (distance) P-C4' energy: -68.481
flat angles C4'-P-C4' energy: -73.120
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -88.351
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: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1143.499078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.499078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.499078 (E_RNA)
where:
Base-Base interactions energy: -807.498
where: short stacking energy: -338.227
Base-Backbone interact. energy: 2.931
local terms energy: -338.931689
where:
bonds (distance) C4'-P energy: -57.819
bonds (distance) P-C4' energy: -72.264
flat angles C4'-P-C4' energy: -81.130
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -85.432
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: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1063.110567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.110567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.110567 (E_RNA)
where:
Base-Base interactions energy: -738.589
where: short stacking energy: -306.996
Base-Backbone interact. energy: -0.382
local terms energy: -324.139938
where:
bonds (distance) C4'-P energy: -59.873
bonds (distance) P-C4' energy: -77.336
flat angles C4'-P-C4' energy: -64.435
flat angles P-C4'-P energy: -37.175
tors. eta vs tors. theta energy: -85.321
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: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1013.571425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.571425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.571425 (E_RNA)
where:
Base-Base interactions energy: -710.647
where: short stacking energy: -310.177
Base-Backbone interact. energy: -1.739
local terms energy: -301.185217
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -72.471
flat angles C4'-P-C4' energy: -65.955
flat angles P-C4'-P energy: -33.890
tors. eta vs tors. theta energy: -79.690
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: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -643.826531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.826531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.826531 (E_RNA)
where:
Base-Base interactions energy: -403.411
where: short stacking energy: -177.284
Base-Backbone interact. energy: 0.610
local terms energy: -241.025339
where:
bonds (distance) C4'-P energy: -40.220
bonds (distance) P-C4' energy: -64.018
flat angles C4'-P-C4' energy: -77.318
flat angles P-C4'-P energy: -34.364
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: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -677.409330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.409330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.409330 (E_RNA)
where:
Base-Base interactions energy: -435.605
where: short stacking energy: -188.691
Base-Backbone interact. energy: 2.510
local terms energy: -244.314007
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -52.294
flat angles C4'-P-C4' energy: -68.626
flat angles P-C4'-P energy: -31.375
tors. eta vs tors. theta energy: -34.852
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: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1457.632077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.632077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.632077 (E_RNA)
where:
Base-Base interactions energy: -1058.012
where: short stacking energy: -446.788
Base-Backbone interact. energy: -1.833
local terms energy: -397.787041
where:
bonds (distance) C4'-P energy: -65.127
bonds (distance) P-C4' energy: -72.853
flat angles C4'-P-C4' energy: -83.567
flat angles P-C4'-P energy: -55.269
tors. eta vs tors. theta energy: -120.970
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: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1337.183404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.183404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.183404 (E_RNA)
where:
Base-Base interactions energy: -945.646
where: short stacking energy: -417.444
Base-Backbone interact. energy: -0.529
local terms energy: -391.007885
where:
bonds (distance) C4'-P energy: -61.490
bonds (distance) P-C4' energy: -76.304
flat angles C4'-P-C4' energy: -83.738
flat angles P-C4'-P energy: -51.344
tors. eta vs tors. theta energy: -118.131
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: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1270.433842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.433842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.433842 (E_RNA)
where:
Base-Base interactions energy: -888.620
where: short stacking energy: -355.371
Base-Backbone interact. energy: -1.401
local terms energy: -380.413271
where:
bonds (distance) C4'-P energy: -66.501
bonds (distance) P-C4' energy: -72.725
flat angles C4'-P-C4' energy: -87.255
flat angles P-C4'-P energy: -52.483
tors. eta vs tors. theta energy: -101.449
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: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1213.355374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.355374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.355374 (E_RNA)
where:
Base-Base interactions energy: -845.311
where: short stacking energy: -351.658
Base-Backbone interact. energy: -0.733
local terms energy: -367.311781
where:
bonds (distance) C4'-P energy: -63.742
bonds (distance) P-C4' energy: -62.735
flat angles C4'-P-C4' energy: -85.243
flat angles P-C4'-P energy: -51.103
tors. eta vs tors. theta energy: -104.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1197.987852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.987852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.987852 (E_RNA)
where:
Base-Base interactions energy: -836.183
where: short stacking energy: -344.726
Base-Backbone interact. energy: -2.285
local terms energy: -359.519211
where:
bonds (distance) C4'-P energy: -64.289
bonds (distance) P-C4' energy: -65.079
flat angles C4'-P-C4' energy: -78.544
flat angles P-C4'-P energy: -57.398
tors. eta vs tors. theta energy: -94.210
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: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1109.233181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.233181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.233181 (E_RNA)
where:
Base-Base interactions energy: -768.996
where: short stacking energy: -348.130
Base-Backbone interact. energy: 1.049
local terms energy: -341.285661
where:
bonds (distance) C4'-P energy: -54.840
bonds (distance) P-C4' energy: -67.774
flat angles C4'-P-C4' energy: -78.967
flat angles P-C4'-P energy: -46.959
tors. eta vs tors. theta energy: -92.746
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: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1101.418463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.418463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.418463 (E_RNA)
where:
Base-Base interactions energy: -760.015
where: short stacking energy: -325.073
Base-Backbone interact. energy: -2.037
local terms energy: -339.365904
where:
bonds (distance) C4'-P energy: -61.030
bonds (distance) P-C4' energy: -59.946
flat angles C4'-P-C4' energy: -81.333
flat angles P-C4'-P energy: -51.186
tors. eta vs tors. theta energy: -85.872
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: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1022.815498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.815498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.815498 (E_RNA)
where:
Base-Base interactions energy: -717.269
where: short stacking energy: -313.193
Base-Backbone interact. energy: -0.101
local terms energy: -305.445568
where:
bonds (distance) C4'-P energy: -51.573
bonds (distance) P-C4' energy: -67.488
flat angles C4'-P-C4' energy: -65.170
flat angles P-C4'-P energy: -45.806
tors. eta vs tors. theta energy: -75.408
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: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -667.675173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.675173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.675173 (E_RNA)
where:
Base-Base interactions energy: -426.572
where: short stacking energy: -200.763
Base-Backbone interact. energy: -1.025
local terms energy: -240.077725
where:
bonds (distance) C4'-P energy: -48.660
bonds (distance) P-C4' energy: -63.856
flat angles C4'-P-C4' energy: -69.960
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -28.032
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: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -590.003263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.003263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.003263 (E_RNA)
where:
Base-Base interactions energy: -369.501
where: short stacking energy: -175.388
Base-Backbone interact. energy: -1.582
local terms energy: -218.920308
where:
bonds (distance) C4'-P energy: -51.068
bonds (distance) P-C4' energy: -55.377
flat angles C4'-P-C4' energy: -56.933
flat angles P-C4'-P energy: -34.402
tors. eta vs tors. theta energy: -21.140
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: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1446.805357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.805357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.805357 (E_RNA)
where:
Base-Base interactions energy: -1034.398
where: short stacking energy: -424.374
Base-Backbone interact. energy: -1.289
local terms energy: -411.118063
where:
bonds (distance) C4'-P energy: -79.271
bonds (distance) P-C4' energy: -76.072
flat angles C4'-P-C4' energy: -81.121
flat angles P-C4'-P energy: -54.224
tors. eta vs tors. theta energy: -120.430
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: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1327.906849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.906849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.906849 (E_RNA)
where:
Base-Base interactions energy: -933.220
where: short stacking energy: -403.656
Base-Backbone interact. energy: -1.422
local terms energy: -393.264205
where:
bonds (distance) C4'-P energy: -70.660
bonds (distance) P-C4' energy: -69.548
flat angles C4'-P-C4' energy: -84.153
flat angles P-C4'-P energy: -53.905
tors. eta vs tors. theta energy: -114.999
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: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1260.242777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.242777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.242777 (E_RNA)
where:
Base-Base interactions energy: -875.669
where: short stacking energy: -381.999
Base-Backbone interact. energy: 0.370
local terms energy: -384.942994
where:
bonds (distance) C4'-P energy: -63.121
bonds (distance) P-C4' energy: -80.920
flat angles C4'-P-C4' energy: -80.391
flat angles P-C4'-P energy: -57.554
tors. eta vs tors. theta energy: -102.957
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: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1245.922510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.922510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.922510 (E_RNA)
where:
Base-Base interactions energy: -871.865
where: short stacking energy: -362.591
Base-Backbone interact. energy: -0.764
local terms energy: -373.294121
where:
bonds (distance) C4'-P energy: -73.130
bonds (distance) P-C4' energy: -72.737
flat angles C4'-P-C4' energy: -84.664
flat angles P-C4'-P energy: -42.131
tors. eta vs tors. theta energy: -100.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1187.232101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.232101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.232101 (E_RNA)
where:
Base-Base interactions energy: -828.759
where: short stacking energy: -349.397
Base-Backbone interact. energy: -1.600
local terms energy: -356.873186
where:
bonds (distance) C4'-P energy: -65.783
bonds (distance) P-C4' energy: -70.372
flat angles C4'-P-C4' energy: -80.893
flat angles P-C4'-P energy: -48.814
tors. eta vs tors. theta energy: -91.012
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: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1134.102060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.102060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.102060 (E_RNA)
where:
Base-Base interactions energy: -784.223
where: short stacking energy: -324.249
Base-Backbone interact. energy: 0.321
local terms energy: -350.200270
where:
bonds (distance) C4'-P energy: -65.081
bonds (distance) P-C4' energy: -74.264
flat angles C4'-P-C4' energy: -68.885
flat angles P-C4'-P energy: -54.332
tors. eta vs tors. theta energy: -87.640
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: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1074.814087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.814087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.814087 (E_RNA)
where:
Base-Base interactions energy: -751.542
where: short stacking energy: -301.506
Base-Backbone interact. energy: 1.162
local terms energy: -324.433443
where:
bonds (distance) C4'-P energy: -63.658
bonds (distance) P-C4' energy: -70.204
flat angles C4'-P-C4' energy: -67.678
flat angles P-C4'-P energy: -47.166
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: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1000.995474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.995474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.995474 (E_RNA)
where:
Base-Base interactions energy: -683.671
where: short stacking energy: -306.381
Base-Backbone interact. energy: -1.160
local terms energy: -316.164116
where:
bonds (distance) C4'-P energy: -63.005
bonds (distance) P-C4' energy: -69.108
flat angles C4'-P-C4' energy: -70.333
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -73.769
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: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -648.082554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.082554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.082554 (E_RNA)
where:
Base-Base interactions energy: -388.012
where: short stacking energy: -195.652
Base-Backbone interact. energy: 0.480
local terms energy: -260.549954
where:
bonds (distance) C4'-P energy: -59.852
bonds (distance) P-C4' energy: -72.690
flat angles C4'-P-C4' energy: -57.280
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: -27.599
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: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -622.772683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.772683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.772683 (E_RNA)
where:
Base-Base interactions energy: -392.859
where: short stacking energy: -190.403
Base-Backbone interact. energy: 1.089
local terms energy: -231.003170
where:
bonds (distance) C4'-P energy: -53.789
bonds (distance) P-C4' energy: -61.016
flat angles C4'-P-C4' energy: -49.195
flat angles P-C4'-P energy: -33.493
tors. eta vs tors. theta energy: -33.510
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: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1430.453624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.453624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.453624 (E_RNA)
where:
Base-Base interactions energy: -1015.841
where: short stacking energy: -423.737
Base-Backbone interact. energy: -0.448
local terms energy: -414.165182
where:
bonds (distance) C4'-P energy: -69.202
bonds (distance) P-C4' energy: -78.360
flat angles C4'-P-C4' energy: -91.799
flat angles P-C4'-P energy: -54.902
tors. eta vs tors. theta energy: -119.903
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: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1322.886930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.886930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.886930 (E_RNA)
where:
Base-Base interactions energy: -920.871
where: short stacking energy: -389.405
Base-Backbone interact. energy: -0.966
local terms energy: -401.049873
where:
bonds (distance) C4'-P energy: -83.408
bonds (distance) P-C4' energy: -69.732
flat angles C4'-P-C4' energy: -79.170
flat angles P-C4'-P energy: -59.550
tors. eta vs tors. theta energy: -109.190
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: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1281.790121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.790121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.790121 (E_RNA)
where:
Base-Base interactions energy: -897.259
where: short stacking energy: -401.848
Base-Backbone interact. energy: -1.417
local terms energy: -383.114494
where:
bonds (distance) C4'-P energy: -64.127
bonds (distance) P-C4' energy: -64.377
flat angles C4'-P-C4' energy: -81.455
flat angles P-C4'-P energy: -58.962
tors. eta vs tors. theta energy: -114.194
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: 159
Temperature: 1.050000
Total energy: -1240.978226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.978226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.978226 (E_RNA)
where:
Base-Base interactions energy: -871.610
where: short stacking energy: -370.177
Base-Backbone interact. energy: -0.440
local terms energy: -368.929054
where:
bonds (distance) C4'-P energy: -61.238
bonds (distance) P-C4' energy: -73.495
flat angles C4'-P-C4' energy: -82.825
flat angles P-C4'-P energy: -58.729
tors. eta vs tors. theta energy: -92.642
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: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1189.443282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.443282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.443282 (E_RNA)
where:
Base-Base interactions energy: -832.769
where: short stacking energy: -326.870
Base-Backbone interact. energy: 0.020
local terms energy: -356.693698
where:
bonds (distance) C4'-P energy: -72.259
bonds (distance) P-C4' energy: -69.180
flat angles C4'-P-C4' energy: -79.494
flat angles P-C4'-P energy: -51.259
tors. eta vs tors. theta energy: -84.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1128.280187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.280187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.280187 (E_RNA)
where:
Base-Base interactions energy: -786.570
where: short stacking energy: -329.012
Base-Backbone interact. energy: -1.292
local terms energy: -340.418095
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -66.906
flat angles C4'-P-C4' energy: -70.875
flat angles P-C4'-P energy: -45.469
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: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1073.918289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.918289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.918289 (E_RNA)
where:
Base-Base interactions energy: -739.849
where: short stacking energy: -299.713
Base-Backbone interact. energy: -0.167
local terms energy: -333.902432
where:
bonds (distance) C4'-P energy: -73.695
bonds (distance) P-C4' energy: -52.044
flat angles C4'-P-C4' energy: -68.591
flat angles P-C4'-P energy: -49.492
tors. eta vs tors. theta energy: -90.081
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: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -986.024249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.024249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.024249 (E_RNA)
where:
Base-Base interactions energy: -683.148
where: short stacking energy: -293.050
Base-Backbone interact. energy: -0.886
local terms energy: -301.990711
where:
bonds (distance) C4'-P energy: -66.209
bonds (distance) P-C4' energy: -54.912
flat angles C4'-P-C4' energy: -69.109
flat angles P-C4'-P energy: -37.012
tors. eta vs tors. theta energy: -74.749
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: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -694.129465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.129465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.129465 (E_RNA)
where:
Base-Base interactions energy: -459.575
where: short stacking energy: -205.875
Base-Backbone interact. energy: 2.448
local terms energy: -237.002604
where:
bonds (distance) C4'-P energy: -48.034
bonds (distance) P-C4' energy: -54.005
flat angles C4'-P-C4' energy: -69.328
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -30.058
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: 10, replica: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -545.650068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.650068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.650068 (E_RNA)
where:
Base-Base interactions energy: -311.892
where: short stacking energy: -170.027
Base-Backbone interact. energy: -0.755
local terms energy: -233.003271
where:
bonds (distance) C4'-P energy: -55.003
bonds (distance) P-C4' energy: -61.037
flat angles C4'-P-C4' energy: -58.449
flat angles P-C4'-P energy: -36.133
tors. eta vs tors. theta energy: -22.381
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: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1434.365820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.365820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.365820 (E_RNA)
where:
Base-Base interactions energy: -1021.798
where: short stacking energy: -435.074
Base-Backbone interact. energy: 0.217
local terms energy: -412.785629
where:
bonds (distance) C4'-P energy: -75.619
bonds (distance) P-C4' energy: -75.018
flat angles C4'-P-C4' energy: -90.141
flat angles P-C4'-P energy: -60.028
tors. eta vs tors. theta energy: -111.981
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: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1354.349312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.349312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.349312 (E_RNA)
where:
Base-Base interactions energy: -942.316
where: short stacking energy: -394.241
Base-Backbone interact. energy: -1.704
local terms energy: -410.329082
where:
bonds (distance) C4'-P energy: -72.672
bonds (distance) P-C4' energy: -77.072
flat angles C4'-P-C4' energy: -82.852
flat angles P-C4'-P energy: -65.165
tors. eta vs tors. theta energy: -112.568
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: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1266.375194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.375194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.375194 (E_RNA)
where:
Base-Base interactions energy: -896.378
where: short stacking energy: -394.270
Base-Backbone interact. energy: -0.327
local terms energy: -369.670571
where:
bonds (distance) C4'-P energy: -75.464
bonds (distance) P-C4' energy: -64.479
flat angles C4'-P-C4' energy: -80.304
flat angles P-C4'-P energy: -46.029
tors. eta vs tors. theta energy: -103.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1221.211121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.211121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.211121 (E_RNA)
where:
Base-Base interactions energy: -851.808
where: short stacking energy: -368.405
Base-Backbone interact. energy: -2.142
local terms energy: -367.261320
where:
bonds (distance) C4'-P energy: -75.681
bonds (distance) P-C4' energy: -58.707
flat angles C4'-P-C4' energy: -78.395
flat angles P-C4'-P energy: -58.136
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: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1197.151122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.151122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.151122 (E_RNA)
where:
Base-Base interactions energy: -835.753
where: short stacking energy: -355.545
Base-Backbone interact. energy: -2.783
local terms energy: -358.615179
where:
bonds (distance) C4'-P energy: -57.230
bonds (distance) P-C4' energy: -67.003
flat angles C4'-P-C4' energy: -86.897
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: -104.755
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: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1112.342128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.342128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.342128 (E_RNA)
where:
Base-Base interactions energy: -764.999
where: short stacking energy: -311.255
Base-Backbone interact. energy: 4.698
local terms energy: -352.041256
where:
bonds (distance) C4'-P energy: -67.392
bonds (distance) P-C4' energy: -67.056
flat angles C4'-P-C4' energy: -73.347
flat angles P-C4'-P energy: -60.614
tors. eta vs tors. theta energy: -83.633
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: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1128.392106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.392106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.392106 (E_RNA)
where:
Base-Base interactions energy: -801.026
where: short stacking energy: -342.467
Base-Backbone interact. energy: -0.066
local terms energy: -327.300388
where:
bonds (distance) C4'-P energy: -56.529
bonds (distance) P-C4' energy: -70.083
flat angles C4'-P-C4' energy: -70.034
flat angles P-C4'-P energy: -37.087
tors. eta vs tors. theta energy: -93.567
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: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1000.737772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.737772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.737772 (E_RNA)
where:
Base-Base interactions energy: -685.404
where: short stacking energy: -293.988
Base-Backbone interact. energy: 1.970
local terms energy: -317.303065
where:
bonds (distance) C4'-P energy: -60.984
bonds (distance) P-C4' energy: -70.329
flat angles C4'-P-C4' energy: -68.515
flat angles P-C4'-P energy: -42.738
tors. eta vs tors. theta energy: -74.737
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: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -673.395534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.395534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.395534 (E_RNA)
where:
Base-Base interactions energy: -426.408
where: short stacking energy: -213.196
Base-Backbone interact. energy: 0.424
local terms energy: -247.412278
where:
bonds (distance) C4'-P energy: -55.134
bonds (distance) P-C4' energy: -57.784
flat angles C4'-P-C4' energy: -56.291
flat angles P-C4'-P energy: -49.566
tors. eta vs tors. theta energy: -28.638
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: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -616.859339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.859339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.859339 (E_RNA)
where:
Base-Base interactions energy: -384.343
where: short stacking energy: -179.545
Base-Backbone interact. energy: -0.118
local terms energy: -232.398162
where:
bonds (distance) C4'-P energy: -69.374
bonds (distance) P-C4' energy: -54.472
flat angles C4'-P-C4' energy: -48.242
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -31.199
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: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1440.804181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.804181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.804181 (E_RNA)
where:
Base-Base interactions energy: -1027.487
where: short stacking energy: -433.251
Base-Backbone interact. energy: -0.886
local terms energy: -412.431301
where:
bonds (distance) C4'-P energy: -66.649
bonds (distance) P-C4' energy: -78.590
flat angles C4'-P-C4' energy: -87.328
flat angles P-C4'-P energy: -60.836
tors. eta vs tors. theta energy: -119.028
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: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1313.587537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.587537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.587537 (E_RNA)
where:
Base-Base interactions energy: -917.659
where: short stacking energy: -390.455
Base-Backbone interact. energy: -1.429
local terms energy: -394.499964
where:
bonds (distance) C4'-P energy: -67.881
bonds (distance) P-C4' energy: -79.984
flat angles C4'-P-C4' energy: -83.069
flat angles P-C4'-P energy: -57.648
tors. eta vs tors. theta energy: -105.917
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: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1247.445154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.445154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.445154 (E_RNA)
where:
Base-Base interactions energy: -853.336
where: short stacking energy: -367.824
Base-Backbone interact. energy: -2.536
local terms energy: -391.573138
where:
bonds (distance) C4'-P energy: -66.533
bonds (distance) P-C4' energy: -78.113
flat angles C4'-P-C4' energy: -79.326
flat angles P-C4'-P energy: -58.723
tors. eta vs tors. theta energy: -108.878
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: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1239.721151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.721151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.721151 (E_RNA)
where:
Base-Base interactions energy: -853.565
where: short stacking energy: -351.305
Base-Backbone interact. energy: -1.849
local terms energy: -384.306238
where:
bonds (distance) C4'-P energy: -70.602
bonds (distance) P-C4' energy: -76.357
flat angles C4'-P-C4' energy: -85.272
flat angles P-C4'-P energy: -53.824
tors. eta vs tors. theta energy: -98.251
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: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1221.165094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.165094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.165094 (E_RNA)
where:
Base-Base interactions energy: -861.116
where: short stacking energy: -371.162
Base-Backbone interact. energy: 0.460
local terms energy: -360.508891
where:
bonds (distance) C4'-P energy: -63.585
bonds (distance) P-C4' energy: -72.176
flat angles C4'-P-C4' energy: -80.803
flat angles P-C4'-P energy: -45.425
tors. eta vs tors. theta energy: -98.520
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: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1143.102478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.102478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.102478 (E_RNA)
where:
Base-Base interactions energy: -794.714
where: short stacking energy: -353.739
Base-Backbone interact. energy: 1.765
local terms energy: -350.153279
where:
bonds (distance) C4'-P energy: -63.231
bonds (distance) P-C4' energy: -67.501
flat angles C4'-P-C4' energy: -68.750
flat angles P-C4'-P energy: -58.231
tors. eta vs tors. theta energy: -92.440
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: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1115.036540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.036540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.036540 (E_RNA)
where:
Base-Base interactions energy: -789.470
where: short stacking energy: -339.992
Base-Backbone interact. energy: -1.716
local terms energy: -323.850616
where:
bonds (distance) C4'-P energy: -65.592
bonds (distance) P-C4' energy: -70.833
flat angles C4'-P-C4' energy: -65.175
flat angles P-C4'-P energy: -32.794
tors. eta vs tors. theta energy: -89.456
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: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1005.707051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.707051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.707051 (E_RNA)
where:
Base-Base interactions energy: -702.655
where: short stacking energy: -292.742
Base-Backbone interact. energy: -0.948
local terms energy: -302.103690
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -62.808
flat angles C4'-P-C4' energy: -86.449
flat angles P-C4'-P energy: -35.934
tors. eta vs tors. theta energy: -72.850
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: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -662.363168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.363168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.363168 (E_RNA)
where:
Base-Base interactions energy: -415.278
where: short stacking energy: -187.741
Base-Backbone interact. energy: -0.850
local terms energy: -246.234614
where:
bonds (distance) C4'-P energy: -46.467
bonds (distance) P-C4' energy: -69.535
flat angles C4'-P-C4' energy: -70.300
flat angles P-C4'-P energy: -36.660
tors. eta vs tors. theta energy: -23.273
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: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -582.369867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.369867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.369867 (E_RNA)
where:
Base-Base interactions energy: -339.244
where: short stacking energy: -142.157
Base-Backbone interact. energy: -0.628
local terms energy: -242.498120
where:
bonds (distance) C4'-P energy: -53.994
bonds (distance) P-C4' energy: -63.874
flat angles C4'-P-C4' energy: -62.474
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -25.109
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: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1431.780075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.780075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.780075 (E_RNA)
where:
Base-Base interactions energy: -1008.866
where: short stacking energy: -429.995
Base-Backbone interact. energy: -0.950
local terms energy: -421.963536
where:
bonds (distance) C4'-P energy: -66.553
bonds (distance) P-C4' energy: -80.117
flat angles C4'-P-C4' energy: -96.743
flat angles P-C4'-P energy: -62.206
tors. eta vs tors. theta energy: -116.344
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: 162
Temperature: 0.950000
Total energy: -1314.282900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.282900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.282900 (E_RNA)
where:
Base-Base interactions energy: -900.960
where: short stacking energy: -385.792
Base-Backbone interact. energy: -1.860
local terms energy: -411.463437
where:
bonds (distance) C4'-P energy: -79.072
bonds (distance) P-C4' energy: -78.128
flat angles C4'-P-C4' energy: -77.960
flat angles P-C4'-P energy: -60.498
tors. eta vs tors. theta energy: -115.805
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: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1244.202254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.202254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.202254 (E_RNA)
where:
Base-Base interactions energy: -857.024
where: short stacking energy: -365.682
Base-Backbone interact. energy: -1.777
local terms energy: -385.401299
where:
bonds (distance) C4'-P energy: -70.352
bonds (distance) P-C4' energy: -68.114
flat angles C4'-P-C4' energy: -81.842
flat angles P-C4'-P energy: -55.031
tors. eta vs tors. theta energy: -110.062
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: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1215.062341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.062341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.062341 (E_RNA)
where:
Base-Base interactions energy: -846.841
where: short stacking energy: -350.127
Base-Backbone interact. energy: -1.943
local terms energy: -366.278411
where:
bonds (distance) C4'-P energy: -63.326
bonds (distance) P-C4' energy: -73.271
flat angles C4'-P-C4' energy: -83.026
flat angles P-C4'-P energy: -53.737
tors. eta vs tors. theta energy: -92.917
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: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1181.896554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.896554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.896554 (E_RNA)
where:
Base-Base interactions energy: -828.035
where: short stacking energy: -350.531
Base-Backbone interact. energy: -2.751
local terms energy: -351.110757
where:
bonds (distance) C4'-P energy: -63.428
bonds (distance) P-C4' energy: -71.924
flat angles C4'-P-C4' energy: -73.209
flat angles P-C4'-P energy: -48.903
tors. eta vs tors. theta energy: -93.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1085.829985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.829985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.829985 (E_RNA)
where:
Base-Base interactions energy: -741.780
where: short stacking energy: -316.887
Base-Backbone interact. energy: -0.586
local terms energy: -343.463774
where:
bonds (distance) C4'-P energy: -69.155
bonds (distance) P-C4' energy: -67.095
flat angles C4'-P-C4' energy: -69.744
flat angles P-C4'-P energy: -45.825
tors. eta vs tors. theta energy: -91.644
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: 162
Temperature: 1.200000
Total energy: -1103.622278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.622278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.622278 (E_RNA)
where:
Base-Base interactions energy: -770.094
where: short stacking energy: -323.041
Base-Backbone interact. energy: -0.502
local terms energy: -333.026482
where:
bonds (distance) C4'-P energy: -50.672
bonds (distance) P-C4' energy: -68.516
flat angles C4'-P-C4' energy: -81.516
flat angles P-C4'-P energy: -54.819
tors. eta vs tors. theta energy: -77.504
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: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1033.114473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.114473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.114473 (E_RNA)
where:
Base-Base interactions energy: -699.388
where: short stacking energy: -304.271
Base-Backbone interact. energy: -0.781
local terms energy: -332.946338
where:
bonds (distance) C4'-P energy: -64.413
bonds (distance) P-C4' energy: -69.810
flat angles C4'-P-C4' energy: -70.062
flat angles P-C4'-P energy: -48.160
tors. eta vs tors. theta energy: -80.502
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: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -677.246404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.246404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.246404 (E_RNA)
where:
Base-Base interactions energy: -414.143
where: short stacking energy: -188.524
Base-Backbone interact. energy: 1.939
local terms energy: -265.041912
where:
bonds (distance) C4'-P energy: -61.996
bonds (distance) P-C4' energy: -71.762
flat angles C4'-P-C4' energy: -65.088
flat angles P-C4'-P energy: -38.435
tors. eta vs tors. theta energy: -27.760
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: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -562.972315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.972315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.972315 (E_RNA)
where:
Base-Base interactions energy: -354.857
where: short stacking energy: -158.720
Base-Backbone interact. energy: 2.428
local terms energy: -210.542738
where:
bonds (distance) C4'-P energy: -43.517
bonds (distance) P-C4' energy: -57.071
flat angles C4'-P-C4' energy: -51.332
flat angles P-C4'-P energy: -36.887
tors. eta vs tors. theta energy: -21.736
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: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1446.647639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.647639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.647639 (E_RNA)
where:
Base-Base interactions energy: -1031.987
where: short stacking energy: -428.584
Base-Backbone interact. energy: 0.731
local terms energy: -415.391029
where:
bonds (distance) C4'-P energy: -69.847
bonds (distance) P-C4' energy: -75.065
flat angles C4'-P-C4' energy: -87.976
flat angles P-C4'-P energy: -67.388
tors. eta vs tors. theta energy: -115.115
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: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1326.585072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.585072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.585072 (E_RNA)
where:
Base-Base interactions energy: -941.206
where: short stacking energy: -397.953
Base-Backbone interact. energy: -1.077
local terms energy: -384.301971
where:
bonds (distance) C4'-P energy: -74.987
bonds (distance) P-C4' energy: -71.890
flat angles C4'-P-C4' energy: -82.792
flat angles P-C4'-P energy: -45.874
tors. eta vs tors. theta energy: -108.759
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: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1249.131497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.131497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.131497 (E_RNA)
where:
Base-Base interactions energy: -869.000
where: short stacking energy: -388.277
Base-Backbone interact. energy: -1.744
local terms energy: -378.387819
where:
bonds (distance) C4'-P energy: -66.295
bonds (distance) P-C4' energy: -67.510
flat angles C4'-P-C4' energy: -81.507
flat angles P-C4'-P energy: -48.564
tors. eta vs tors. theta energy: -114.512
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: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1246.857041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.857041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.857041 (E_RNA)
where:
Base-Base interactions energy: -879.651
where: short stacking energy: -372.205
Base-Backbone interact. energy: -1.931
local terms energy: -365.275194
where:
bonds (distance) C4'-P energy: -67.587
bonds (distance) P-C4' energy: -69.483
flat angles C4'-P-C4' energy: -77.062
flat angles P-C4'-P energy: -52.148
tors. eta vs tors. theta energy: -98.995
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: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1192.240377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.240377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.240377 (E_RNA)
where:
Base-Base interactions energy: -839.164
where: short stacking energy: -341.609
Base-Backbone interact. energy: -1.145
local terms energy: -351.931778
where:
bonds (distance) C4'-P energy: -57.941
bonds (distance) P-C4' energy: -70.546
flat angles C4'-P-C4' energy: -80.647
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -94.896
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: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1138.404486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.404486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.404486 (E_RNA)
where:
Base-Base interactions energy: -788.534
where: short stacking energy: -328.689
Base-Backbone interact. energy: -1.358
local terms energy: -348.512590
where:
bonds (distance) C4'-P energy: -70.753
bonds (distance) P-C4' energy: -63.706
flat angles C4'-P-C4' energy: -76.169
flat angles P-C4'-P energy: -43.754
tors. eta vs tors. theta energy: -94.131
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: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1123.251077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.251077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.251077 (E_RNA)
where:
Base-Base interactions energy: -773.610
where: short stacking energy: -351.784
Base-Backbone interact. energy: 1.350
local terms energy: -350.990946
where:
bonds (distance) C4'-P energy: -67.306
bonds (distance) P-C4' energy: -60.529
flat angles C4'-P-C4' energy: -76.132
flat angles P-C4'-P energy: -47.930
tors. eta vs tors. theta energy: -99.094
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: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1060.195917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.195917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.195917 (E_RNA)
where:
Base-Base interactions energy: -729.574
where: short stacking energy: -311.081
Base-Backbone interact. energy: -1.151
local terms energy: -329.471091
where:
bonds (distance) C4'-P energy: -66.753
bonds (distance) P-C4' energy: -64.589
flat angles C4'-P-C4' energy: -71.480
flat angles P-C4'-P energy: -40.544
tors. eta vs tors. theta energy: -86.104
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: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -705.729818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.729818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.729818 (E_RNA)
where:
Base-Base interactions energy: -449.962
where: short stacking energy: -214.015
Base-Backbone interact. energy: 0.590
local terms energy: -256.358570
where:
bonds (distance) C4'-P energy: -55.324
bonds (distance) P-C4' energy: -64.466
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -39.531
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: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -625.628336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.628336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.628336 (E_RNA)
where:
Base-Base interactions energy: -408.248
where: short stacking energy: -195.431
Base-Backbone interact. energy: -2.807
local terms energy: -214.573735
where:
bonds (distance) C4'-P energy: -45.247
bonds (distance) P-C4' energy: -55.315
flat angles C4'-P-C4' energy: -51.874
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -28.205
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: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1446.130139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.130139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.130139 (E_RNA)
where:
Base-Base interactions energy: -1010.022
where: short stacking energy: -408.020
Base-Backbone interact. energy: -1.095
local terms energy: -435.013642
where:
bonds (distance) C4'-P energy: -84.677
bonds (distance) P-C4' energy: -73.790
flat angles C4'-P-C4' energy: -90.972
flat angles P-C4'-P energy: -68.710
tors. eta vs tors. theta energy: -116.865
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: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1339.600959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.600959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.600959 (E_RNA)
where:
Base-Base interactions energy: -944.080
where: short stacking energy: -396.876
Base-Backbone interact. energy: -0.833
local terms energy: -394.688070
where:
bonds (distance) C4'-P energy: -69.415
bonds (distance) P-C4' energy: -72.904
flat angles C4'-P-C4' energy: -86.733
flat angles P-C4'-P energy: -52.476
tors. eta vs tors. theta energy: -113.161
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: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1260.477544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.477544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.477544 (E_RNA)
where:
Base-Base interactions energy: -881.872
where: short stacking energy: -391.279
Base-Backbone interact. energy: -0.792
local terms energy: -377.813198
where:
bonds (distance) C4'-P energy: -58.402
bonds (distance) P-C4' energy: -70.586
flat angles C4'-P-C4' energy: -82.296
flat angles P-C4'-P energy: -54.480
tors. eta vs tors. theta energy: -112.049
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: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1277.119507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.119507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.119507 (E_RNA)
where:
Base-Base interactions energy: -899.832
where: short stacking energy: -363.998
Base-Backbone interact. energy: 0.455
local terms energy: -377.742403
where:
bonds (distance) C4'-P energy: -72.893
bonds (distance) P-C4' energy: -72.525
flat angles C4'-P-C4' energy: -79.638
flat angles P-C4'-P energy: -51.537
tors. eta vs tors. theta energy: -101.150
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: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1180.337965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.337965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.337965 (E_RNA)
where:
Base-Base interactions energy: -852.211
where: short stacking energy: -356.907
Base-Backbone interact. energy: -0.736
local terms energy: -327.391475
where:
bonds (distance) C4'-P energy: -54.402
bonds (distance) P-C4' energy: -63.320
flat angles C4'-P-C4' energy: -73.211
flat angles P-C4'-P energy: -37.728
tors. eta vs tors. theta energy: -98.731
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: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1163.342223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.342223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.342223 (E_RNA)
where:
Base-Base interactions energy: -782.217
where: short stacking energy: -332.184
Base-Backbone interact. energy: -0.886
local terms energy: -380.239700
where:
bonds (distance) C4'-P energy: -75.315
bonds (distance) P-C4' energy: -74.463
flat angles C4'-P-C4' energy: -82.059
flat angles P-C4'-P energy: -53.267
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: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1131.527858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.527858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.527858 (E_RNA)
where:
Base-Base interactions energy: -773.671
where: short stacking energy: -325.326
Base-Backbone interact. energy: 1.326
local terms energy: -359.182088
where:
bonds (distance) C4'-P energy: -68.372
bonds (distance) P-C4' energy: -70.832
flat angles C4'-P-C4' energy: -80.914
flat angles P-C4'-P energy: -48.350
tors. eta vs tors. theta energy: -90.715
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: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1039.459315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.459315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.459315 (E_RNA)
where:
Base-Base interactions energy: -715.755
where: short stacking energy: -311.459
Base-Backbone interact. energy: -0.377
local terms energy: -323.326950
where:
bonds (distance) C4'-P energy: -66.071
bonds (distance) P-C4' energy: -64.147
flat angles C4'-P-C4' energy: -65.219
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -84.058
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: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -634.834910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.834910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.834910 (E_RNA)
where:
Base-Base interactions energy: -398.077
where: short stacking energy: -169.819
Base-Backbone interact. energy: -1.667
local terms energy: -235.091562
where:
bonds (distance) C4'-P energy: -42.623
bonds (distance) P-C4' energy: -70.332
flat angles C4'-P-C4' energy: -59.499
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -18.928
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: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -595.072538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.072538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.072538 (E_RNA)
where:
Base-Base interactions energy: -354.316
where: short stacking energy: -167.979
Base-Backbone interact. energy: -1.318
local terms energy: -239.439181
where:
bonds (distance) C4'-P energy: -63.324
bonds (distance) P-C4' energy: -61.112
flat angles C4'-P-C4' energy: -64.043
flat angles P-C4'-P energy: -27.335
tors. eta vs tors. theta energy: -23.624
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: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1443.836973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.836973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.836973 (E_RNA)
where:
Base-Base interactions energy: -1033.990
where: short stacking energy: -434.380
Base-Backbone interact. energy: 0.822
local terms energy: -410.669449
where:
bonds (distance) C4'-P energy: -78.007
bonds (distance) P-C4' energy: -78.132
flat angles C4'-P-C4' energy: -78.331
flat angles P-C4'-P energy: -57.190
tors. eta vs tors. theta energy: -119.009
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: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1329.970673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.970673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.970673 (E_RNA)
where:
Base-Base interactions energy: -936.974
where: short stacking energy: -402.054
Base-Backbone interact. energy: 0.805
local terms energy: -393.802076
where:
bonds (distance) C4'-P energy: -71.953
bonds (distance) P-C4' energy: -72.806
flat angles C4'-P-C4' energy: -79.467
flat angles P-C4'-P energy: -52.398
tors. eta vs tors. theta energy: -117.178
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: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1252.425434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.425434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.425434 (E_RNA)
where:
Base-Base interactions energy: -888.117
where: short stacking energy: -381.338
Base-Backbone interact. energy: -1.848
local terms energy: -362.460294
where:
bonds (distance) C4'-P energy: -64.751
bonds (distance) P-C4' energy: -72.174
flat angles C4'-P-C4' energy: -77.632
flat angles P-C4'-P energy: -33.656
tors. eta vs tors. theta energy: -114.247
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: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1229.589403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.589403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.589403 (E_RNA)
where:
Base-Base interactions energy: -867.018
where: short stacking energy: -338.299
Base-Backbone interact. energy: -2.369
local terms energy: -360.202196
where:
bonds (distance) C4'-P energy: -60.741
bonds (distance) P-C4' energy: -77.931
flat angles C4'-P-C4' energy: -78.891
flat angles P-C4'-P energy: -45.143
tors. eta vs tors. theta energy: -97.496
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: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1170.644132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.644132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.644132 (E_RNA)
where:
Base-Base interactions energy: -824.298
where: short stacking energy: -327.575
Base-Backbone interact. energy: -1.895
local terms energy: -344.450934
where:
bonds (distance) C4'-P energy: -55.710
bonds (distance) P-C4' energy: -82.967
flat angles C4'-P-C4' energy: -75.850
flat angles P-C4'-P energy: -48.719
tors. eta vs tors. theta energy: -81.205
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: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1170.516194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.516194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.516194 (E_RNA)
where:
Base-Base interactions energy: -824.996
where: short stacking energy: -350.970
Base-Backbone interact. energy: -0.817
local terms energy: -344.703180
where:
bonds (distance) C4'-P energy: -63.848
bonds (distance) P-C4' energy: -58.317
flat angles C4'-P-C4' energy: -68.540
flat angles P-C4'-P energy: -50.668
tors. eta vs tors. theta energy: -103.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1105.225884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.225884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.225884 (E_RNA)
where:
Base-Base interactions energy: -766.872
where: short stacking energy: -315.288
Base-Backbone interact. energy: -2.017
local terms energy: -336.337255
where:
bonds (distance) C4'-P energy: -57.306
bonds (distance) P-C4' energy: -63.172
flat angles C4'-P-C4' energy: -83.037
flat angles P-C4'-P energy: -36.891
tors. eta vs tors. theta energy: -95.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1021.457524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.457524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.457524 (E_RNA)
where:
Base-Base interactions energy: -689.383
where: short stacking energy: -299.741
Base-Backbone interact. energy: -0.122
local terms energy: -331.952412
where:
bonds (distance) C4'-P energy: -57.358
bonds (distance) P-C4' energy: -72.166
flat angles C4'-P-C4' energy: -72.887
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -83.761
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: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -741.973904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.973904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.973904 (E_RNA)
where:
Base-Base interactions energy: -471.276
where: short stacking energy: -213.909
Base-Backbone interact. energy: -1.430
local terms energy: -269.267899
where:
bonds (distance) C4'-P energy: -65.341
bonds (distance) P-C4' energy: -70.041
flat angles C4'-P-C4' energy: -62.267
flat angles P-C4'-P energy: -36.254
tors. eta vs tors. theta energy: -35.365
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: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -585.521569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.521569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.521569 (E_RNA)
where:
Base-Base interactions energy: -348.620
where: short stacking energy: -158.105
Base-Backbone interact. energy: 1.497
local terms energy: -238.398006
where:
bonds (distance) C4'-P energy: -62.643
bonds (distance) P-C4' energy: -71.109
flat angles C4'-P-C4' energy: -60.847
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -19.404
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: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1415.643085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.643085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.643085 (E_RNA)
where:
Base-Base interactions energy: -1007.047
where: short stacking energy: -419.350
Base-Backbone interact. energy: -1.259
local terms energy: -407.336637
where:
bonds (distance) C4'-P energy: -72.973
bonds (distance) P-C4' energy: -76.719
flat angles C4'-P-C4' energy: -89.080
flat angles P-C4'-P energy: -52.498
tors. eta vs tors. theta energy: -116.067
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: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1331.450494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.450494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.450494 (E_RNA)
where:
Base-Base interactions energy: -922.358
where: short stacking energy: -401.629
Base-Backbone interact. energy: -1.098
local terms energy: -407.994156
where:
bonds (distance) C4'-P energy: -75.619
bonds (distance) P-C4' energy: -76.973
flat angles C4'-P-C4' energy: -88.123
flat angles P-C4'-P energy: -54.064
tors. eta vs tors. theta energy: -113.214
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: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1263.774543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.774543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.774543 (E_RNA)
where:
Base-Base interactions energy: -869.000
where: short stacking energy: -388.536
Base-Backbone interact. energy: 1.280
local terms energy: -396.054449
where:
bonds (distance) C4'-P energy: -69.743
bonds (distance) P-C4' energy: -71.956
flat angles C4'-P-C4' energy: -85.248
flat angles P-C4'-P energy: -58.346
tors. eta vs tors. theta energy: -110.762
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: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1252.647728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.647728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.647728 (E_RNA)
where:
Base-Base interactions energy: -882.846
where: short stacking energy: -375.539
Base-Backbone interact. energy: -1.518
local terms energy: -368.283957
where:
bonds (distance) C4'-P energy: -72.629
bonds (distance) P-C4' energy: -63.775
flat angles C4'-P-C4' energy: -81.787
flat angles P-C4'-P energy: -48.057
tors. eta vs tors. theta energy: -102.037
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: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1186.489889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.489889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.489889 (E_RNA)
where:
Base-Base interactions energy: -827.314
where: short stacking energy: -338.739
Base-Backbone interact. energy: -1.714
local terms energy: -357.461151
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -75.421
flat angles C4'-P-C4' energy: -78.338
flat angles P-C4'-P energy: -55.226
tors. eta vs tors. theta energy: -87.927
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: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1180.038785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.038785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.038785 (E_RNA)
where:
Base-Base interactions energy: -844.485
where: short stacking energy: -350.594
Base-Backbone interact. energy: 0.430
local terms energy: -335.983969
where:
bonds (distance) C4'-P energy: -54.948
bonds (distance) P-C4' energy: -65.142
flat angles C4'-P-C4' energy: -70.161
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -94.050
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: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1128.075548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.075548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.075548 (E_RNA)
where:
Base-Base interactions energy: -784.602
where: short stacking energy: -333.386
Base-Backbone interact. energy: 0.703
local terms energy: -344.176253
where:
bonds (distance) C4'-P energy: -69.766
bonds (distance) P-C4' energy: -54.662
flat angles C4'-P-C4' energy: -78.980
flat angles P-C4'-P energy: -48.948
tors. eta vs tors. theta energy: -91.820
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: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1020.665227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.665227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.665227 (E_RNA)
where:
Base-Base interactions energy: -704.593
where: short stacking energy: -307.863
Base-Backbone interact. energy: -1.819
local terms energy: -314.252387
where:
bonds (distance) C4'-P energy: -49.939
bonds (distance) P-C4' energy: -64.873
flat angles C4'-P-C4' energy: -70.663
flat angles P-C4'-P energy: -55.674
tors. eta vs tors. theta energy: -73.103
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: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -727.499610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.499610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.499610 (E_RNA)
where:
Base-Base interactions energy: -476.243
where: short stacking energy: -213.994
Base-Backbone interact. energy: -1.377
local terms energy: -249.879823
where:
bonds (distance) C4'-P energy: -56.009
bonds (distance) P-C4' energy: -64.277
flat angles C4'-P-C4' energy: -53.724
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -33.262
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: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -650.710357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.710357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.710357 (E_RNA)
where:
Base-Base interactions energy: -422.295
where: short stacking energy: -201.568
Base-Backbone interact. energy: 0.387
local terms energy: -228.802697
where:
bonds (distance) C4'-P energy: -58.555
bonds (distance) P-C4' energy: -50.674
flat angles C4'-P-C4' energy: -52.439
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -30.070
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: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1468.362590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.362590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.362590 (E_RNA)
where:
Base-Base interactions energy: -1041.819
where: short stacking energy: -434.000
Base-Backbone interact. energy: -0.105
local terms energy: -426.438515
where:
bonds (distance) C4'-P energy: -72.718
bonds (distance) P-C4' energy: -74.175
flat angles C4'-P-C4' energy: -95.052
flat angles P-C4'-P energy: -58.231
tors. eta vs tors. theta energy: -126.262
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: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1340.689141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.689141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.689141 (E_RNA)
where:
Base-Base interactions energy: -958.843
where: short stacking energy: -415.351
Base-Backbone interact. energy: 2.259
local terms energy: -384.104776
where:
bonds (distance) C4'-P energy: -68.090
bonds (distance) P-C4' energy: -67.882
flat angles C4'-P-C4' energy: -88.037
flat angles P-C4'-P energy: -50.506
tors. eta vs tors. theta energy: -109.589
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: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1286.641077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.641077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.641077 (E_RNA)
where:
Base-Base interactions energy: -905.204
where: short stacking energy: -388.061
Base-Backbone interact. energy: 0.431
local terms energy: -381.867804
where:
bonds (distance) C4'-P energy: -76.345
bonds (distance) P-C4' energy: -70.856
flat angles C4'-P-C4' energy: -74.994
flat angles P-C4'-P energy: -51.998
tors. eta vs tors. theta energy: -107.675
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: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1213.644872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.644872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.644872 (E_RNA)
where:
Base-Base interactions energy: -869.472
where: short stacking energy: -360.166
Base-Backbone interact. energy: -2.616
local terms energy: -341.557410
where:
bonds (distance) C4'-P energy: -61.434
bonds (distance) P-C4' energy: -73.592
flat angles C4'-P-C4' energy: -72.825
flat angles P-C4'-P energy: -41.741
tors. eta vs tors. theta energy: -91.964
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: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1233.936016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.936016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.936016 (E_RNA)
where:
Base-Base interactions energy: -874.508
where: short stacking energy: -371.547
Base-Backbone interact. energy: 1.522
local terms energy: -360.950540
where:
bonds (distance) C4'-P energy: -65.091
bonds (distance) P-C4' energy: -54.654
flat angles C4'-P-C4' energy: -85.371
flat angles P-C4'-P energy: -57.871
tors. eta vs tors. theta energy: -97.964
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: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1141.558073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.558073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.558073 (E_RNA)
where:
Base-Base interactions energy: -790.658
where: short stacking energy: -364.437
Base-Backbone interact. energy: -1.391
local terms energy: -349.509044
where:
bonds (distance) C4'-P energy: -57.363
bonds (distance) P-C4' energy: -67.953
flat angles C4'-P-C4' energy: -74.264
flat angles P-C4'-P energy: -50.540
tors. eta vs tors. theta energy: -99.389
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: 167
Temperature: 1.200000
Total energy: -1132.431185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.431185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.431185 (E_RNA)
where:
Base-Base interactions energy: -786.652
where: short stacking energy: -322.892
Base-Backbone interact. energy: -1.133
local terms energy: -344.646538
where:
bonds (distance) C4'-P energy: -70.600
bonds (distance) P-C4' energy: -64.757
flat angles C4'-P-C4' energy: -79.976
flat angles P-C4'-P energy: -43.867
tors. eta vs tors. theta energy: -85.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1043.081592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.081592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.081592 (E_RNA)
where:
Base-Base interactions energy: -730.016
where: short stacking energy: -314.005
Base-Backbone interact. energy: 0.883
local terms energy: -313.948043
where:
bonds (distance) C4'-P energy: -59.024
bonds (distance) P-C4' energy: -65.285
flat angles C4'-P-C4' energy: -64.872
flat angles P-C4'-P energy: -53.406
tors. eta vs tors. theta energy: -71.360
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: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -789.535483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.535483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.535483 (E_RNA)
where:
Base-Base interactions energy: -517.002
where: short stacking energy: -215.483
Base-Backbone interact. energy: -1.270
local terms energy: -271.263480
where:
bonds (distance) C4'-P energy: -68.461
bonds (distance) P-C4' energy: -68.149
flat angles C4'-P-C4' energy: -62.809
flat angles P-C4'-P energy: -34.415
tors. eta vs tors. theta energy: -37.430
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: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -586.557593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.557593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.557593 (E_RNA)
where:
Base-Base interactions energy: -349.953
where: short stacking energy: -168.773
Base-Backbone interact. energy: -1.176
local terms energy: -235.428592
where:
bonds (distance) C4'-P energy: -55.880
bonds (distance) P-C4' energy: -59.268
flat angles C4'-P-C4' energy: -53.588
flat angles P-C4'-P energy: -37.190
tors. eta vs tors. theta energy: -29.502
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: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1489.604724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.604724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.604724 (E_RNA)
where:
Base-Base interactions energy: -1072.248
where: short stacking energy: -446.990
Base-Backbone interact. energy: 0.057
local terms energy: -417.414250
where:
bonds (distance) C4'-P energy: -74.634
bonds (distance) P-C4' energy: -80.250
flat angles C4'-P-C4' energy: -77.457
flat angles P-C4'-P energy: -59.364
tors. eta vs tors. theta energy: -125.709
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: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1335.355440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.355440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.355440 (E_RNA)
where:
Base-Base interactions energy: -922.431
where: short stacking energy: -390.810
Base-Backbone interact. energy: -0.666
local terms energy: -412.258676
where:
bonds (distance) C4'-P energy: -77.729
bonds (distance) P-C4' energy: -74.854
flat angles C4'-P-C4' energy: -83.409
flat angles P-C4'-P energy: -62.114
tors. eta vs tors. theta energy: -114.153
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: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1266.415746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.415746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.415746 (E_RNA)
where:
Base-Base interactions energy: -889.297
where: short stacking energy: -376.624
Base-Backbone interact. energy: -0.189
local terms energy: -376.930258
where:
bonds (distance) C4'-P energy: -78.836
bonds (distance) P-C4' energy: -61.654
flat angles C4'-P-C4' energy: -80.589
flat angles P-C4'-P energy: -47.776
tors. eta vs tors. theta energy: -108.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1214.267475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.267475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.267475 (E_RNA)
where:
Base-Base interactions energy: -853.760
where: short stacking energy: -349.417
Base-Backbone interact. energy: 0.293
local terms energy: -360.800282
where:
bonds (distance) C4'-P energy: -74.358
bonds (distance) P-C4' energy: -67.470
flat angles C4'-P-C4' energy: -82.381
flat angles P-C4'-P energy: -41.204
tors. eta vs tors. theta energy: -95.386
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: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1218.767097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.767097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.767097 (E_RNA)
where:
Base-Base interactions energy: -861.765
where: short stacking energy: -364.331
Base-Backbone interact. energy: 0.708
local terms energy: -357.709248
where:
bonds (distance) C4'-P energy: -66.749
bonds (distance) P-C4' energy: -65.122
flat angles C4'-P-C4' energy: -79.363
flat angles P-C4'-P energy: -45.517
tors. eta vs tors. theta energy: -100.958
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: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1129.548092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.548092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.548092 (E_RNA)
where:
Base-Base interactions energy: -777.111
where: short stacking energy: -327.169
Base-Backbone interact. energy: 0.129
local terms energy: -352.566328
where:
bonds (distance) C4'-P energy: -65.159
bonds (distance) P-C4' energy: -65.054
flat angles C4'-P-C4' energy: -75.821
flat angles P-C4'-P energy: -51.677
tors. eta vs tors. theta energy: -94.855
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: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1173.364855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.364855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.364855 (E_RNA)
where:
Base-Base interactions energy: -835.979
where: short stacking energy: -352.913
Base-Backbone interact. energy: -0.497
local terms energy: -336.888143
where:
bonds (distance) C4'-P energy: -61.028
bonds (distance) P-C4' energy: -58.017
flat angles C4'-P-C4' energy: -81.921
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -91.525
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: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1030.368828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.368828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.368828 (E_RNA)
where:
Base-Base interactions energy: -712.958
where: short stacking energy: -291.521
Base-Backbone interact. energy: -0.832
local terms energy: -316.579476
where:
bonds (distance) C4'-P energy: -64.746
bonds (distance) P-C4' energy: -65.490
flat angles C4'-P-C4' energy: -71.022
flat angles P-C4'-P energy: -43.301
tors. eta vs tors. theta energy: -72.021
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: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -798.545852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.545852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.545852 (E_RNA)
where:
Base-Base interactions energy: -527.008
where: short stacking energy: -235.261
Base-Backbone interact. energy: -0.661
local terms energy: -270.876592
where:
bonds (distance) C4'-P energy: -53.545
bonds (distance) P-C4' energy: -54.011
flat angles C4'-P-C4' energy: -69.210
flat angles P-C4'-P energy: -38.112
tors. eta vs tors. theta energy: -55.998
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: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -653.837653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.837653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.837653 (E_RNA)
where:
Base-Base interactions energy: -407.214
where: short stacking energy: -192.503
Base-Backbone interact. energy: -0.532
local terms energy: -246.091999
where:
bonds (distance) C4'-P energy: -51.822
bonds (distance) P-C4' energy: -55.915
flat angles C4'-P-C4' energy: -69.701
flat angles P-C4'-P energy: -36.731
tors. eta vs tors. theta energy: -31.922
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: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1480.128101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.128101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.128101 (E_RNA)
where:
Base-Base interactions energy: -1071.693
where: short stacking energy: -443.197
Base-Backbone interact. energy: -0.455
local terms energy: -407.979519
where:
bonds (distance) C4'-P energy: -61.773
bonds (distance) P-C4' energy: -70.235
flat angles C4'-P-C4' energy: -95.920
flat angles P-C4'-P energy: -59.166
tors. eta vs tors. theta energy: -120.885
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: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1338.742753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.742753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.742753 (E_RNA)
where:
Base-Base interactions energy: -935.652
where: short stacking energy: -398.839
Base-Backbone interact. energy: -2.584
local terms energy: -400.507186
where:
bonds (distance) C4'-P energy: -70.820
bonds (distance) P-C4' energy: -74.913
flat angles C4'-P-C4' energy: -88.264
flat angles P-C4'-P energy: -52.006
tors. eta vs tors. theta energy: -114.504
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: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1313.946605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.946605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.946605 (E_RNA)
where:
Base-Base interactions energy: -910.062
where: short stacking energy: -406.045
Base-Backbone interact. energy: -0.944
local terms energy: -402.940964
where:
bonds (distance) C4'-P energy: -78.113
bonds (distance) P-C4' energy: -77.239
flat angles C4'-P-C4' energy: -76.903
flat angles P-C4'-P energy: -50.375
tors. eta vs tors. theta energy: -120.310
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: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1258.998984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.998984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.998984 (E_RNA)
where:
Base-Base interactions energy: -875.036
where: short stacking energy: -394.674
Base-Backbone interact. energy: -2.684
local terms energy: -381.279038
where:
bonds (distance) C4'-P energy: -61.592
bonds (distance) P-C4' energy: -69.035
flat angles C4'-P-C4' energy: -80.922
flat angles P-C4'-P energy: -58.757
tors. eta vs tors. theta energy: -110.974
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: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1167.942835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.942835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.942835 (E_RNA)
where:
Base-Base interactions energy: -837.312
where: short stacking energy: -337.319
Base-Backbone interact. energy: -2.618
local terms energy: -328.013264
where:
bonds (distance) C4'-P energy: -51.058
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -77.404
flat angles P-C4'-P energy: -43.948
tors. eta vs tors. theta energy: -88.371
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: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1172.887411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.887411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.887411 (E_RNA)
where:
Base-Base interactions energy: -838.538
where: short stacking energy: -342.150
Base-Backbone interact. energy: -1.689
local terms energy: -332.659955
where:
bonds (distance) C4'-P energy: -61.192
bonds (distance) P-C4' energy: -70.903
flat angles C4'-P-C4' energy: -71.486
flat angles P-C4'-P energy: -36.071
tors. eta vs tors. theta energy: -93.008
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: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1102.575395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.575395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.575395 (E_RNA)
where:
Base-Base interactions energy: -780.235
where: short stacking energy: -332.449
Base-Backbone interact. energy: -1.379
local terms energy: -320.961367
where:
bonds (distance) C4'-P energy: -60.659
bonds (distance) P-C4' energy: -65.734
flat angles C4'-P-C4' energy: -71.049
flat angles P-C4'-P energy: -40.468
tors. eta vs tors. theta energy: -83.052
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: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1038.497328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.497328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.497328 (E_RNA)
where:
Base-Base interactions energy: -726.526
where: short stacking energy: -310.434
Base-Backbone interact. energy: -0.736
local terms energy: -311.235399
where:
bonds (distance) C4'-P energy: -49.426
bonds (distance) P-C4' energy: -60.578
flat angles C4'-P-C4' energy: -73.297
flat angles P-C4'-P energy: -42.574
tors. eta vs tors. theta energy: -85.360
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: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -750.822764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.822764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.822764 (E_RNA)
where:
Base-Base interactions energy: -476.114
where: short stacking energy: -217.784
Base-Backbone interact. energy: 6.981
local terms energy: -281.689967
where:
bonds (distance) C4'-P energy: -71.658
bonds (distance) P-C4' energy: -69.984
flat angles C4'-P-C4' energy: -68.796
flat angles P-C4'-P energy: -30.065
tors. eta vs tors. theta energy: -41.187
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: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -602.845920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.845920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.845920 (E_RNA)
where:
Base-Base interactions energy: -353.416
where: short stacking energy: -168.340
Base-Backbone interact. energy: -0.551
local terms energy: -248.879376
where:
bonds (distance) C4'-P energy: -56.262
bonds (distance) P-C4' energy: -76.522
flat angles C4'-P-C4' energy: -53.189
flat angles P-C4'-P energy: -36.084
tors. eta vs tors. theta energy: -26.823
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: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1488.221531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.221531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.221531 (E_RNA)
where:
Base-Base interactions energy: -1061.333
where: short stacking energy: -445.053
Base-Backbone interact. energy: 0.041
local terms energy: -426.928669
where:
bonds (distance) C4'-P energy: -68.802
bonds (distance) P-C4' energy: -83.391
flat angles C4'-P-C4' energy: -87.959
flat angles P-C4'-P energy: -67.092
tors. eta vs tors. theta energy: -119.685
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: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1351.183341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.183341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.183341 (E_RNA)
where:
Base-Base interactions energy: -937.268
where: short stacking energy: -404.601
Base-Backbone interact. energy: -0.703
local terms energy: -413.212522
where:
bonds (distance) C4'-P energy: -85.043
bonds (distance) P-C4' energy: -69.202
flat angles C4'-P-C4' energy: -79.244
flat angles P-C4'-P energy: -57.442
tors. eta vs tors. theta energy: -122.281
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: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1305.690129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.690129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.690129 (E_RNA)
where:
Base-Base interactions energy: -921.594
where: short stacking energy: -389.019
Base-Backbone interact. energy: -0.561
local terms energy: -383.534896
where:
bonds (distance) C4'-P energy: -73.841
bonds (distance) P-C4' energy: -69.138
flat angles C4'-P-C4' energy: -78.620
flat angles P-C4'-P energy: -52.689
tors. eta vs tors. theta energy: -109.246
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: 170
Temperature: 1.050000
Total energy: -1228.064807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.064807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.064807 (E_RNA)
where:
Base-Base interactions energy: -861.757
where: short stacking energy: -362.581
Base-Backbone interact. energy: 1.525
local terms energy: -367.832744
where:
bonds (distance) C4'-P energy: -72.255
bonds (distance) P-C4' energy: -75.264
flat angles C4'-P-C4' energy: -68.625
flat angles P-C4'-P energy: -59.364
tors. eta vs tors. theta energy: -92.326
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: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1211.475015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.475015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.475015 (E_RNA)
where:
Base-Base interactions energy: -850.554
where: short stacking energy: -358.135
Base-Backbone interact. energy: -0.896
local terms energy: -360.025205
where:
bonds (distance) C4'-P energy: -59.565
bonds (distance) P-C4' energy: -71.791
flat angles C4'-P-C4' energy: -81.608
flat angles P-C4'-P energy: -47.605
tors. eta vs tors. theta energy: -99.456
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: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1152.503840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.503840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.503840 (E_RNA)
where:
Base-Base interactions energy: -824.472
where: short stacking energy: -338.026
Base-Backbone interact. energy: -0.302
local terms energy: -327.729651
where:
bonds (distance) C4'-P energy: -58.868
bonds (distance) P-C4' energy: -74.909
flat angles C4'-P-C4' energy: -70.620
flat angles P-C4'-P energy: -47.291
tors. eta vs tors. theta energy: -76.042
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: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1095.524122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.524122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.524122 (E_RNA)
where:
Base-Base interactions energy: -767.768
where: short stacking energy: -331.614
Base-Backbone interact. energy: 1.793
local terms energy: -329.548876
where:
bonds (distance) C4'-P energy: -64.473
bonds (distance) P-C4' energy: -61.681
flat angles C4'-P-C4' energy: -75.185
flat angles P-C4'-P energy: -48.117
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: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1067.840198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.840198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.840198 (E_RNA)
where:
Base-Base interactions energy: -735.791
where: short stacking energy: -307.187
Base-Backbone interact. energy: 3.775
local terms energy: -335.824152
where:
bonds (distance) C4'-P energy: -62.187
bonds (distance) P-C4' energy: -70.184
flat angles C4'-P-C4' energy: -72.907
flat angles P-C4'-P energy: -47.502
tors. eta vs tors. theta energy: -83.044
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: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -738.638476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.638476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.638476 (E_RNA)
where:
Base-Base interactions energy: -488.875
where: short stacking energy: -232.001
Base-Backbone interact. energy: -0.054
local terms energy: -249.709172
where:
bonds (distance) C4'-P energy: -55.149
bonds (distance) P-C4' energy: -54.048
flat angles C4'-P-C4' energy: -66.155
flat angles P-C4'-P energy: -42.864
tors. eta vs tors. theta energy: -31.492
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: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -601.778976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.778976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.778976 (E_RNA)
where:
Base-Base interactions energy: -383.474
where: short stacking energy: -195.255
Base-Backbone interact. energy: 5.052
local terms energy: -223.356570
where:
bonds (distance) C4'-P energy: -63.230
bonds (distance) P-C4' energy: -59.398
flat angles C4'-P-C4' energy: -46.768
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: -30.693
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: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1480.227727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.227727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.227727 (E_RNA)
where:
Base-Base interactions energy: -1057.991
where: short stacking energy: -432.049
Base-Backbone interact. energy: -0.304
local terms energy: -421.932918
where:
bonds (distance) C4'-P energy: -72.242
bonds (distance) P-C4' energy: -74.635
flat angles C4'-P-C4' energy: -93.376
flat angles P-C4'-P energy: -54.997
tors. eta vs tors. theta energy: -126.683
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: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1377.754657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.754657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.754657 (E_RNA)
where:
Base-Base interactions energy: -959.723
where: short stacking energy: -417.530
Base-Backbone interact. energy: -2.581
local terms energy: -415.450633
where:
bonds (distance) C4'-P energy: -76.553
bonds (distance) P-C4' energy: -72.577
flat angles C4'-P-C4' energy: -84.859
flat angles P-C4'-P energy: -64.121
tors. eta vs tors. theta energy: -117.341
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: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1303.681134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.681134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.681134 (E_RNA)
where:
Base-Base interactions energy: -931.408
where: short stacking energy: -390.862
Base-Backbone interact. energy: -2.824
local terms energy: -369.449365
where:
bonds (distance) C4'-P energy: -62.908
bonds (distance) P-C4' energy: -77.012
flat angles C4'-P-C4' energy: -74.475
flat angles P-C4'-P energy: -42.499
tors. eta vs tors. theta energy: -112.554
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: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1256.706068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.706068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.706068 (E_RNA)
where:
Base-Base interactions energy: -892.191
where: short stacking energy: -365.459
Base-Backbone interact. energy: -0.434
local terms energy: -364.081446
where:
bonds (distance) C4'-P energy: -69.191
bonds (distance) P-C4' energy: -67.290
flat angles C4'-P-C4' energy: -77.239
flat angles P-C4'-P energy: -44.813
tors. eta vs tors. theta energy: -105.547
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: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1191.007116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.007116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.007116 (E_RNA)
where:
Base-Base interactions energy: -837.710
where: short stacking energy: -346.969
Base-Backbone interact. energy: -0.866
local terms energy: -352.431431
where:
bonds (distance) C4'-P energy: -64.333
bonds (distance) P-C4' energy: -78.910
flat angles C4'-P-C4' energy: -67.309
flat angles P-C4'-P energy: -53.657
tors. eta vs tors. theta energy: -88.223
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: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1159.918018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.918018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.918018 (E_RNA)
where:
Base-Base interactions energy: -817.665
where: short stacking energy: -334.189
Base-Backbone interact. energy: -1.621
local terms energy: -340.632020
where:
bonds (distance) C4'-P energy: -65.278
bonds (distance) P-C4' energy: -56.005
flat angles C4'-P-C4' energy: -77.350
flat angles P-C4'-P energy: -52.094
tors. eta vs tors. theta energy: -89.904
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: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1061.062648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.062648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.062648 (E_RNA)
where:
Base-Base interactions energy: -729.171
where: short stacking energy: -318.768
Base-Backbone interact. energy: -0.429
local terms energy: -331.462479
where:
bonds (distance) C4'-P energy: -65.134
bonds (distance) P-C4' energy: -68.503
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -52.212
tors. eta vs tors. theta energy: -82.722
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: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1031.775942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.775942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.775942 (E_RNA)
where:
Base-Base interactions energy: -704.138
where: short stacking energy: -298.588
Base-Backbone interact. energy: 2.240
local terms energy: -329.877285
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -70.678
flat angles C4'-P-C4' energy: -64.968
flat angles P-C4'-P energy: -50.100
tors. eta vs tors. theta energy: -83.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -713.325616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.325616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.325616 (E_RNA)
where:
Base-Base interactions energy: -477.906
where: short stacking energy: -203.359
Base-Backbone interact. energy: 1.522
local terms energy: -236.941870
where:
bonds (distance) C4'-P energy: -66.516
bonds (distance) P-C4' energy: -59.889
flat angles C4'-P-C4' energy: -59.930
flat angles P-C4'-P energy: -30.139
tors. eta vs tors. theta energy: -20.468
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: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -600.101224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.101224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.101224 (E_RNA)
where:
Base-Base interactions energy: -371.740
where: short stacking energy: -181.222
Base-Backbone interact. energy: 0.121
local terms energy: -228.482349
where:
bonds (distance) C4'-P energy: -65.509
bonds (distance) P-C4' energy: -50.499
flat angles C4'-P-C4' energy: -57.858
flat angles P-C4'-P energy: -31.607
tors. eta vs tors. theta energy: -23.010
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: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1472.634529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.634529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.634529 (E_RNA)
where:
Base-Base interactions energy: -1066.365
where: short stacking energy: -447.450
Base-Backbone interact. energy: -0.105
local terms energy: -406.164501
where:
bonds (distance) C4'-P energy: -78.734
bonds (distance) P-C4' energy: -68.759
flat angles C4'-P-C4' energy: -79.608
flat angles P-C4'-P energy: -55.699
tors. eta vs tors. theta energy: -123.364
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: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1335.021813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.021813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.021813 (E_RNA)
where:
Base-Base interactions energy: -917.047
where: short stacking energy: -391.699
Base-Backbone interact. energy: -1.482
local terms energy: -416.492604
where:
bonds (distance) C4'-P energy: -72.635
bonds (distance) P-C4' energy: -85.109
flat angles C4'-P-C4' energy: -83.228
flat angles P-C4'-P energy: -66.587
tors. eta vs tors. theta energy: -108.934
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: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1280.627811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.627811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.627811 (E_RNA)
where:
Base-Base interactions energy: -906.180
where: short stacking energy: -387.606
Base-Backbone interact. energy: 0.426
local terms energy: -374.874067
where:
bonds (distance) C4'-P energy: -77.983
bonds (distance) P-C4' energy: -67.348
flat angles C4'-P-C4' energy: -82.682
flat angles P-C4'-P energy: -38.569
tors. eta vs tors. theta energy: -108.292
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: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1297.709439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.709439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.709439 (E_RNA)
where:
Base-Base interactions energy: -901.553
where: short stacking energy: -391.443
Base-Backbone interact. energy: -0.958
local terms energy: -395.197865
where:
bonds (distance) C4'-P energy: -75.455
bonds (distance) P-C4' energy: -71.903
flat angles C4'-P-C4' energy: -84.141
flat angles P-C4'-P energy: -47.554
tors. eta vs tors. theta energy: -116.144
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: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1213.696446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.696446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.696446 (E_RNA)
where:
Base-Base interactions energy: -858.523
where: short stacking energy: -372.890
Base-Backbone interact. energy: -1.211
local terms energy: -353.962477
where:
bonds (distance) C4'-P energy: -60.866
bonds (distance) P-C4' energy: -62.574
flat angles C4'-P-C4' energy: -82.408
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -104.528
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: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1144.465791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.465791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.465791 (E_RNA)
where:
Base-Base interactions energy: -800.190
where: short stacking energy: -325.114
Base-Backbone interact. energy: -2.436
local terms energy: -341.839819
where:
bonds (distance) C4'-P energy: -72.235
bonds (distance) P-C4' energy: -61.690
flat angles C4'-P-C4' energy: -78.127
flat angles P-C4'-P energy: -43.981
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: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1088.005259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.005259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.005259 (E_RNA)
where:
Base-Base interactions energy: -742.569
where: short stacking energy: -345.789
Base-Backbone interact. energy: 1.694
local terms energy: -347.129364
where:
bonds (distance) C4'-P energy: -60.806
bonds (distance) P-C4' energy: -68.531
flat angles C4'-P-C4' energy: -74.098
flat angles P-C4'-P energy: -49.921
tors. eta vs tors. theta energy: -93.773
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: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1028.179880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.179880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.179880 (E_RNA)
where:
Base-Base interactions energy: -716.714
where: short stacking energy: -286.272
Base-Backbone interact. energy: 0.529
local terms energy: -311.994894
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -69.157
flat angles C4'-P-C4' energy: -68.381
flat angles P-C4'-P energy: -42.867
tors. eta vs tors. theta energy: -67.466
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: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -717.835621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.835621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.835621 (E_RNA)
where:
Base-Base interactions energy: -437.504
where: short stacking energy: -182.167
Base-Backbone interact. energy: -0.969
local terms energy: -279.362738
where:
bonds (distance) C4'-P energy: -63.673
bonds (distance) P-C4' energy: -69.372
flat angles C4'-P-C4' energy: -70.446
flat angles P-C4'-P energy: -54.927
tors. eta vs tors. theta energy: -20.945
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: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -583.455833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.455833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.455833 (E_RNA)
where:
Base-Base interactions energy: -346.841
where: short stacking energy: -169.464
Base-Backbone interact. energy: -2.295
local terms energy: -234.319561
where:
bonds (distance) C4'-P energy: -58.186
bonds (distance) P-C4' energy: -53.601
flat angles C4'-P-C4' energy: -61.566
flat angles P-C4'-P energy: -34.603
tors. eta vs tors. theta energy: -26.363
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: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1472.422876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.422876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.422876 (E_RNA)
where:
Base-Base interactions energy: -1041.120
where: short stacking energy: -431.633
Base-Backbone interact. energy: -0.630
local terms energy: -430.672918
where:
bonds (distance) C4'-P energy: -76.492
bonds (distance) P-C4' energy: -78.799
flat angles C4'-P-C4' energy: -85.762
flat angles P-C4'-P energy: -67.602
tors. eta vs tors. theta energy: -122.018
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: 173
Temperature: 0.950000
Total energy: -1346.188074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.188074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.188074 (E_RNA)
where:
Base-Base interactions energy: -945.938
where: short stacking energy: -404.372
Base-Backbone interact. energy: -1.406
local terms energy: -398.844886
where:
bonds (distance) C4'-P energy: -65.294
bonds (distance) P-C4' energy: -73.106
flat angles C4'-P-C4' energy: -85.329
flat angles P-C4'-P energy: -60.097
tors. eta vs tors. theta energy: -115.019
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: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1284.121062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.121062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.121062 (E_RNA)
where:
Base-Base interactions energy: -890.256
where: short stacking energy: -382.849
Base-Backbone interact. energy: -2.140
local terms energy: -391.725215
where:
bonds (distance) C4'-P energy: -68.217
bonds (distance) P-C4' energy: -75.193
flat angles C4'-P-C4' energy: -85.094
flat angles P-C4'-P energy: -54.988
tors. eta vs tors. theta energy: -108.232
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: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1308.975845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.975845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.975845 (E_RNA)
where:
Base-Base interactions energy: -902.773
where: short stacking energy: -391.192
Base-Backbone interact. energy: -2.631
local terms energy: -403.571744
where:
bonds (distance) C4'-P energy: -76.658
bonds (distance) P-C4' energy: -76.443
flat angles C4'-P-C4' energy: -78.898
flat angles P-C4'-P energy: -47.731
tors. eta vs tors. theta energy: -123.842
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: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1211.736765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.736765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.736765 (E_RNA)
where:
Base-Base interactions energy: -821.515
where: short stacking energy: -354.106
Base-Backbone interact. energy: -1.960
local terms energy: -388.261689
where:
bonds (distance) C4'-P energy: -69.936
bonds (distance) P-C4' energy: -74.383
flat angles C4'-P-C4' energy: -88.295
flat angles P-C4'-P energy: -60.195
tors. eta vs tors. theta energy: -95.453
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: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1168.788412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.788412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.788412 (E_RNA)
where:
Base-Base interactions energy: -826.634
where: short stacking energy: -341.502
Base-Backbone interact. energy: -0.863
local terms energy: -341.291068
where:
bonds (distance) C4'-P energy: -62.655
bonds (distance) P-C4' energy: -71.477
flat angles C4'-P-C4' energy: -71.564
flat angles P-C4'-P energy: -47.139
tors. eta vs tors. theta energy: -88.456
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: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1141.225491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.225491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.225491 (E_RNA)
where:
Base-Base interactions energy: -802.039
where: short stacking energy: -331.453
Base-Backbone interact. energy: 0.873
local terms energy: -340.059967
where:
bonds (distance) C4'-P energy: -58.990
bonds (distance) P-C4' energy: -64.657
flat angles C4'-P-C4' energy: -81.243
flat angles P-C4'-P energy: -37.310
tors. eta vs tors. theta energy: -97.860
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: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1027.846945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.846945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.846945 (E_RNA)
where:
Base-Base interactions energy: -711.113
where: short stacking energy: -291.069
Base-Backbone interact. energy: -1.574
local terms energy: -315.160124
where:
bonds (distance) C4'-P energy: -57.195
bonds (distance) P-C4' energy: -61.722
flat angles C4'-P-C4' energy: -74.234
flat angles P-C4'-P energy: -49.156
tors. eta vs tors. theta energy: -72.853
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: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -789.632449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.632449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.632449 (E_RNA)
where:
Base-Base interactions energy: -528.890
where: short stacking energy: -225.709
Base-Backbone interact. energy: 0.846
local terms energy: -261.587948
where:
bonds (distance) C4'-P energy: -57.867
bonds (distance) P-C4' energy: -63.039
flat angles C4'-P-C4' energy: -70.428
flat angles P-C4'-P energy: -32.671
tors. eta vs tors. theta energy: -37.583
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: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -590.001436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.001436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.001436 (E_RNA)
where:
Base-Base interactions energy: -374.177
where: short stacking energy: -192.447
Base-Backbone interact. energy: 3.213
local terms energy: -219.037567
where:
bonds (distance) C4'-P energy: -53.904
bonds (distance) P-C4' energy: -50.480
flat angles C4'-P-C4' energy: -60.842
flat angles P-C4'-P energy: -31.911
tors. eta vs tors. theta energy: -21.900
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: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1476.911442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.911442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.911442 (E_RNA)
where:
Base-Base interactions energy: -1064.913
where: short stacking energy: -450.703
Base-Backbone interact. energy: -1.748
local terms energy: -410.250735
where:
bonds (distance) C4'-P energy: -66.337
bonds (distance) P-C4' energy: -77.632
flat angles C4'-P-C4' energy: -88.696
flat angles P-C4'-P energy: -49.580
tors. eta vs tors. theta energy: -128.005
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: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1332.465068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.465068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.465068 (E_RNA)
where:
Base-Base interactions energy: -940.377
where: short stacking energy: -400.704
Base-Backbone interact. energy: -1.939
local terms energy: -390.149299
where:
bonds (distance) C4'-P energy: -64.194
bonds (distance) P-C4' energy: -74.990
flat angles C4'-P-C4' energy: -85.744
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -114.256
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: 3, replica: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1295.558134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.558134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.558134 (E_RNA)
where:
Base-Base interactions energy: -935.960
where: short stacking energy: -401.332
Base-Backbone interact. energy: -1.335
local terms energy: -358.263667
where:
bonds (distance) C4'-P energy: -68.512
bonds (distance) P-C4' energy: -59.909
flat angles C4'-P-C4' energy: -68.113
flat angles P-C4'-P energy: -56.855
tors. eta vs tors. theta energy: -104.875
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: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1265.665731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.665731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.665731 (E_RNA)
where:
Base-Base interactions energy: -897.634
where: short stacking energy: -366.514
Base-Backbone interact. energy: -1.191
local terms energy: -366.840227
where:
bonds (distance) C4'-P energy: -70.583
bonds (distance) P-C4' energy: -72.018
flat angles C4'-P-C4' energy: -75.103
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: -112.768
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: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1216.393308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.393308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.393308 (E_RNA)
where:
Base-Base interactions energy: -863.121
where: short stacking energy: -361.240
Base-Backbone interact. energy: -1.036
local terms energy: -352.236425
where:
bonds (distance) C4'-P energy: -59.255
bonds (distance) P-C4' energy: -73.356
flat angles C4'-P-C4' energy: -71.451
flat angles P-C4'-P energy: -50.246
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: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1171.509926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.509926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.509926 (E_RNA)
where:
Base-Base interactions energy: -840.905
where: short stacking energy: -356.845
Base-Backbone interact. energy: 0.376
local terms energy: -330.981163
where:
bonds (distance) C4'-P energy: -66.214
bonds (distance) P-C4' energy: -62.347
flat angles C4'-P-C4' energy: -71.013
flat angles P-C4'-P energy: -42.495
tors. eta vs tors. theta energy: -88.912
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: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1122.674536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.674536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.674536 (E_RNA)
where:
Base-Base interactions energy: -782.857
where: short stacking energy: -330.439
Base-Backbone interact. energy: -0.970
local terms energy: -338.846955
where:
bonds (distance) C4'-P energy: -62.947
bonds (distance) P-C4' energy: -62.637
flat angles C4'-P-C4' energy: -73.057
flat angles P-C4'-P energy: -51.387
tors. eta vs tors. theta energy: -88.819
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: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1026.249494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.249494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.249494 (E_RNA)
where:
Base-Base interactions energy: -733.282
where: short stacking energy: -302.805
Base-Backbone interact. energy: 4.800
local terms energy: -297.767664
where:
bonds (distance) C4'-P energy: -58.913
bonds (distance) P-C4' energy: -64.870
flat angles C4'-P-C4' energy: -66.804
flat angles P-C4'-P energy: -31.598
tors. eta vs tors. theta energy: -75.583
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: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -846.507493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.507493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.507493 (E_RNA)
where:
Base-Base interactions energy: -561.835
where: short stacking energy: -236.677
Base-Backbone interact. energy: 2.765
local terms energy: -287.436764
where:
bonds (distance) C4'-P energy: -67.061
bonds (distance) P-C4' energy: -78.979
flat angles C4'-P-C4' energy: -61.862
flat angles P-C4'-P energy: -33.215
tors. eta vs tors. theta energy: -46.320
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: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -627.759828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.759828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.759828 (E_RNA)
where:
Base-Base interactions energy: -392.548
where: short stacking energy: -189.804
Base-Backbone interact. energy: 1.365
local terms energy: -236.576590
where:
bonds (distance) C4'-P energy: -62.676
bonds (distance) P-C4' energy: -58.670
flat angles C4'-P-C4' energy: -62.984
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -27.327
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: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1479.664363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.664363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.664363 (E_RNA)
where:
Base-Base interactions energy: -1071.061
where: short stacking energy: -451.245
Base-Backbone interact. energy: 0.185
local terms energy: -408.788385
where:
bonds (distance) C4'-P energy: -74.699
bonds (distance) P-C4' energy: -74.876
flat angles C4'-P-C4' energy: -84.469
flat angles P-C4'-P energy: -56.443
tors. eta vs tors. theta energy: -118.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1340.786973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.786973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.786973 (E_RNA)
where:
Base-Base interactions energy: -944.242
where: short stacking energy: -408.446
Base-Backbone interact. energy: -0.265
local terms energy: -396.279899
where:
bonds (distance) C4'-P energy: -61.375
bonds (distance) P-C4' energy: -77.008
flat angles C4'-P-C4' energy: -88.949
flat angles P-C4'-P energy: -56.265
tors. eta vs tors. theta energy: -112.683
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: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1302.644806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.644806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.644806 (E_RNA)
where:
Base-Base interactions energy: -915.342
where: short stacking energy: -382.520
Base-Backbone interact. energy: -0.649
local terms energy: -386.654092
where:
bonds (distance) C4'-P energy: -73.783
bonds (distance) P-C4' energy: -62.555
flat angles C4'-P-C4' energy: -87.669
flat angles P-C4'-P energy: -58.721
tors. eta vs tors. theta energy: -103.927
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: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1233.653920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.653920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.653920 (E_RNA)
where:
Base-Base interactions energy: -878.651
where: short stacking energy: -360.238
Base-Backbone interact. energy: -0.538
local terms energy: -354.465232
where:
bonds (distance) C4'-P energy: -71.159
bonds (distance) P-C4' energy: -70.501
flat angles C4'-P-C4' energy: -75.412
flat angles P-C4'-P energy: -44.154
tors. eta vs tors. theta energy: -93.239
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: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1235.880085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.880085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.880085 (E_RNA)
where:
Base-Base interactions energy: -870.324
where: short stacking energy: -374.946
Base-Backbone interact. energy: -0.873
local terms energy: -364.683430
where:
bonds (distance) C4'-P energy: -52.000
bonds (distance) P-C4' energy: -62.549
flat angles C4'-P-C4' energy: -75.557
flat angles P-C4'-P energy: -60.393
tors. eta vs tors. theta energy: -114.184
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: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1155.214203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.214203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.214203 (E_RNA)
where:
Base-Base interactions energy: -802.679
where: short stacking energy: -350.373
Base-Backbone interact. energy: -1.581
local terms energy: -350.954022
where:
bonds (distance) C4'-P energy: -59.202
bonds (distance) P-C4' energy: -73.783
flat angles C4'-P-C4' energy: -83.129
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -89.118
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: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1125.799121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.799121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.799121 (E_RNA)
where:
Base-Base interactions energy: -791.735
where: short stacking energy: -325.296
Base-Backbone interact. energy: -0.591
local terms energy: -333.472649
where:
bonds (distance) C4'-P energy: -61.704
bonds (distance) P-C4' energy: -65.606
flat angles C4'-P-C4' energy: -76.374
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -85.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1017.507636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.507636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.507636 (E_RNA)
where:
Base-Base interactions energy: -708.999
where: short stacking energy: -303.667
Base-Backbone interact. energy: -0.866
local terms energy: -307.643001
where:
bonds (distance) C4'-P energy: -73.555
bonds (distance) P-C4' energy: -61.831
flat angles C4'-P-C4' energy: -65.761
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -72.904
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: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -837.446385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.446385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.446385 (E_RNA)
where:
Base-Base interactions energy: -572.598
where: short stacking energy: -249.074
Base-Backbone interact. energy: -2.774
local terms energy: -262.074588
where:
bonds (distance) C4'-P energy: -48.682
bonds (distance) P-C4' energy: -62.468
flat angles C4'-P-C4' energy: -67.349
flat angles P-C4'-P energy: -39.762
tors. eta vs tors. theta energy: -43.814
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: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -599.668118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.668118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.668118 (E_RNA)
where:
Base-Base interactions energy: -360.064
where: short stacking energy: -182.836
Base-Backbone interact. energy: 1.181
local terms energy: -240.785518
where:
bonds (distance) C4'-P energy: -56.866
bonds (distance) P-C4' energy: -55.328
flat angles C4'-P-C4' energy: -60.624
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -31.225
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: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1477.993882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.993882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.993882 (E_RNA)
where:
Base-Base interactions energy: -1062.215
where: short stacking energy: -439.574
Base-Backbone interact. energy: -1.531
local terms energy: -414.248573
where:
bonds (distance) C4'-P energy: -70.043
bonds (distance) P-C4' energy: -74.337
flat angles C4'-P-C4' energy: -87.775
flat angles P-C4'-P energy: -63.159
tors. eta vs tors. theta energy: -118.935
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: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1351.372482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.372482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.372482 (E_RNA)
where:
Base-Base interactions energy: -938.667
where: short stacking energy: -385.789
Base-Backbone interact. energy: -1.202
local terms energy: -411.503486
where:
bonds (distance) C4'-P energy: -77.424
bonds (distance) P-C4' energy: -85.066
flat angles C4'-P-C4' energy: -88.781
flat angles P-C4'-P energy: -53.465
tors. eta vs tors. theta energy: -106.767
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: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1308.376477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.376477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.376477 (E_RNA)
where:
Base-Base interactions energy: -909.490
where: short stacking energy: -392.668
Base-Backbone interact. energy: 0.192
local terms energy: -399.078456
where:
bonds (distance) C4'-P energy: -78.403
bonds (distance) P-C4' energy: -75.946
flat angles C4'-P-C4' energy: -88.164
flat angles P-C4'-P energy: -47.836
tors. eta vs tors. theta energy: -108.730
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: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1236.770123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.770123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.770123 (E_RNA)
where:
Base-Base interactions energy: -847.286
where: short stacking energy: -354.184
Base-Backbone interact. energy: -0.068
local terms energy: -389.416273
where:
bonds (distance) C4'-P energy: -81.800
bonds (distance) P-C4' energy: -79.686
flat angles C4'-P-C4' energy: -82.559
flat angles P-C4'-P energy: -47.339
tors. eta vs tors. theta energy: -98.032
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: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1241.420519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.420519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.420519 (E_RNA)
where:
Base-Base interactions energy: -861.017
where: short stacking energy: -385.997
Base-Backbone interact. energy: -0.488
local terms energy: -379.915245
where:
bonds (distance) C4'-P energy: -71.110
bonds (distance) P-C4' energy: -76.686
flat angles C4'-P-C4' energy: -75.374
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -112.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1130.736524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.736524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.736524 (E_RNA)
where:
Base-Base interactions energy: -803.421
where: short stacking energy: -332.910
Base-Backbone interact. energy: -0.440
local terms energy: -326.874841
where:
bonds (distance) C4'-P energy: -54.393
bonds (distance) P-C4' energy: -67.299
flat angles C4'-P-C4' energy: -73.495
flat angles P-C4'-P energy: -51.354
tors. eta vs tors. theta energy: -80.333
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: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1079.073646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.073646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.073646 (E_RNA)
where:
Base-Base interactions energy: -756.060
where: short stacking energy: -320.562
Base-Backbone interact. energy: -0.283
local terms energy: -322.730791
where:
bonds (distance) C4'-P energy: -62.742
bonds (distance) P-C4' energy: -57.298
flat angles C4'-P-C4' energy: -77.107
flat angles P-C4'-P energy: -47.943
tors. eta vs tors. theta energy: -77.640
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: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1061.792715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.792715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.792715 (E_RNA)
where:
Base-Base interactions energy: -740.114
where: short stacking energy: -324.943
Base-Backbone interact. energy: -1.274
local terms energy: -320.404369
where:
bonds (distance) C4'-P energy: -63.741
bonds (distance) P-C4' energy: -63.230
flat angles C4'-P-C4' energy: -66.573
flat angles P-C4'-P energy: -42.344
tors. eta vs tors. theta energy: -84.517
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: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -832.287458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.287458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.287458 (E_RNA)
where:
Base-Base interactions energy: -573.719
where: short stacking energy: -240.303
Base-Backbone interact. energy: -2.397
local terms energy: -256.171612
where:
bonds (distance) C4'-P energy: -61.751
bonds (distance) P-C4' energy: -61.162
flat angles C4'-P-C4' energy: -57.822
flat angles P-C4'-P energy: -36.774
tors. eta vs tors. theta energy: -38.662
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: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -594.074005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.074005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.074005 (E_RNA)
where:
Base-Base interactions energy: -339.979
where: short stacking energy: -179.669
Base-Backbone interact. energy: -1.176
local terms energy: -252.919156
where:
bonds (distance) C4'-P energy: -52.415
bonds (distance) P-C4' energy: -70.309
flat angles C4'-P-C4' energy: -71.578
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -34.825
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: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1461.479569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.479569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.479569 (E_RNA)
where:
Base-Base interactions energy: -1037.170
where: short stacking energy: -431.465
Base-Backbone interact. energy: -0.521
local terms energy: -423.788507
where:
bonds (distance) C4'-P energy: -72.484
bonds (distance) P-C4' energy: -76.958
flat angles C4'-P-C4' energy: -90.309
flat angles P-C4'-P energy: -67.421
tors. eta vs tors. theta energy: -116.617
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: 177
Temperature: 0.950000
Total energy: -1358.690425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.690425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.690425 (E_RNA)
where:
Base-Base interactions energy: -963.736
where: short stacking energy: -422.220
Base-Backbone interact. energy: -2.047
local terms energy: -392.907088
where:
bonds (distance) C4'-P energy: -69.499
bonds (distance) P-C4' energy: -72.517
flat angles C4'-P-C4' energy: -87.721
flat angles P-C4'-P energy: -54.138
tors. eta vs tors. theta energy: -109.032
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: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1320.035821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.035821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.035821 (E_RNA)
where:
Base-Base interactions energy: -932.119
where: short stacking energy: -399.611
Base-Backbone interact. energy: -1.966
local terms energy: -385.951003
where:
bonds (distance) C4'-P energy: -61.162
bonds (distance) P-C4' energy: -68.466
flat angles C4'-P-C4' energy: -83.018
flat angles P-C4'-P energy: -57.863
tors. eta vs tors. theta energy: -115.442
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: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1208.539663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.539663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.539663 (E_RNA)
where:
Base-Base interactions energy: -843.913
where: short stacking energy: -350.722
Base-Backbone interact. energy: -2.363
local terms energy: -362.263838
where:
bonds (distance) C4'-P energy: -68.743
bonds (distance) P-C4' energy: -71.985
flat angles C4'-P-C4' energy: -72.058
flat angles P-C4'-P energy: -53.201
tors. eta vs tors. theta energy: -96.276
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: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1225.940947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.940947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.940947 (E_RNA)
where:
Base-Base interactions energy: -855.473
where: short stacking energy: -367.557
Base-Backbone interact. energy: -1.665
local terms energy: -368.802750
where:
bonds (distance) C4'-P energy: -75.238
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -77.519
flat angles P-C4'-P energy: -50.066
tors. eta vs tors. theta energy: -97.819
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: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1132.095037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.095037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.095037 (E_RNA)
where:
Base-Base interactions energy: -783.211
where: short stacking energy: -327.703
Base-Backbone interact. energy: 0.951
local terms energy: -349.835379
where:
bonds (distance) C4'-P energy: -60.808
bonds (distance) P-C4' energy: -73.477
flat angles C4'-P-C4' energy: -77.786
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: -92.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1101.115838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.115838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.115838 (E_RNA)
where:
Base-Base interactions energy: -784.995
where: short stacking energy: -314.745
Base-Backbone interact. energy: -1.714
local terms energy: -314.406625
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -59.036
flat angles C4'-P-C4' energy: -75.197
flat angles P-C4'-P energy: -33.731
tors. eta vs tors. theta energy: -86.658
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: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1053.324779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.324779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.324779 (E_RNA)
where:
Base-Base interactions energy: -725.113
where: short stacking energy: -316.401
Base-Backbone interact. energy: -0.898
local terms energy: -327.313709
where:
bonds (distance) C4'-P energy: -57.917
bonds (distance) P-C4' energy: -56.089
flat angles C4'-P-C4' energy: -73.356
flat angles P-C4'-P energy: -51.620
tors. eta vs tors. theta energy: -88.332
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: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -787.399922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.399922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.399922 (E_RNA)
where:
Base-Base interactions energy: -514.454
where: short stacking energy: -229.134
Base-Backbone interact. energy: -1.430
local terms energy: -271.516340
where:
bonds (distance) C4'-P energy: -60.284
bonds (distance) P-C4' energy: -64.690
flat angles C4'-P-C4' energy: -61.633
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -46.921
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: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -630.160007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.160007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.160007 (E_RNA)
where:
Base-Base interactions energy: -355.455
where: short stacking energy: -168.157
Base-Backbone interact. energy: -1.368
local terms energy: -273.336631
where:
bonds (distance) C4'-P energy: -63.738
bonds (distance) P-C4' energy: -72.801
flat angles C4'-P-C4' energy: -66.954
flat angles P-C4'-P energy: -40.748
tors. eta vs tors. theta energy: -29.095
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: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1476.044697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.044697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.044697 (E_RNA)
where:
Base-Base interactions energy: -1065.178
where: short stacking energy: -432.046
Base-Backbone interact. energy: -1.040
local terms energy: -409.826837
where:
bonds (distance) C4'-P energy: -70.584
bonds (distance) P-C4' energy: -66.341
flat angles C4'-P-C4' energy: -87.017
flat angles P-C4'-P energy: -61.188
tors. eta vs tors. theta energy: -124.697
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: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1337.239059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.239059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.239059 (E_RNA)
where:
Base-Base interactions energy: -933.649
where: short stacking energy: -407.687
Base-Backbone interact. energy: -1.147
local terms energy: -402.442882
where:
bonds (distance) C4'-P energy: -68.176
bonds (distance) P-C4' energy: -77.100
flat angles C4'-P-C4' energy: -83.864
flat angles P-C4'-P energy: -59.875
tors. eta vs tors. theta energy: -113.427
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: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1317.577164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.577164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.577164 (E_RNA)
where:
Base-Base interactions energy: -924.849
where: short stacking energy: -397.232
Base-Backbone interact. energy: -1.805
local terms energy: -390.922815
where:
bonds (distance) C4'-P energy: -68.983
bonds (distance) P-C4' energy: -84.160
flat angles C4'-P-C4' energy: -82.198
flat angles P-C4'-P energy: -47.295
tors. eta vs tors. theta energy: -108.286
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: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1236.556741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.556741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.556741 (E_RNA)
where:
Base-Base interactions energy: -870.367
where: short stacking energy: -358.210
Base-Backbone interact. energy: 0.029
local terms energy: -366.218952
where:
bonds (distance) C4'-P energy: -75.160
bonds (distance) P-C4' energy: -64.846
flat angles C4'-P-C4' energy: -78.509
flat angles P-C4'-P energy: -51.578
tors. eta vs tors. theta energy: -96.125
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: 178
Temperature: 1.100000
Total energy: -1222.687698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.687698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.687698 (E_RNA)
where:
Base-Base interactions energy: -872.382
where: short stacking energy: -377.797
Base-Backbone interact. energy: -0.563
local terms energy: -349.742231
where:
bonds (distance) C4'-P energy: -57.383
bonds (distance) P-C4' energy: -67.949
flat angles C4'-P-C4' energy: -73.336
flat angles P-C4'-P energy: -50.750
tors. eta vs tors. theta energy: -100.324
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: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1138.723290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.723290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.723290 (E_RNA)
where:
Base-Base interactions energy: -784.479
where: short stacking energy: -334.890
Base-Backbone interact. energy: 1.026
local terms energy: -355.270737
where:
bonds (distance) C4'-P energy: -75.978
bonds (distance) P-C4' energy: -71.492
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -53.093
tors. eta vs tors. theta energy: -83.176
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: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1109.646836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.646836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.646836 (E_RNA)
where:
Base-Base interactions energy: -770.529
where: short stacking energy: -336.738
Base-Backbone interact. energy: -1.071
local terms energy: -338.047685
where:
bonds (distance) C4'-P energy: -74.962
bonds (distance) P-C4' energy: -62.786
flat angles C4'-P-C4' energy: -63.720
flat angles P-C4'-P energy: -44.880
tors. eta vs tors. theta energy: -91.699
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: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1051.957235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.957235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.957235 (E_RNA)
where:
Base-Base interactions energy: -737.750
where: short stacking energy: -284.636
Base-Backbone interact. energy: -1.689
local terms energy: -312.518389
where:
bonds (distance) C4'-P energy: -46.401
bonds (distance) P-C4' energy: -68.428
flat angles C4'-P-C4' energy: -75.949
flat angles P-C4'-P energy: -44.964
tors. eta vs tors. theta energy: -76.776
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: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -780.965032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.965032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.965032 (E_RNA)
where:
Base-Base interactions energy: -519.015
where: short stacking energy: -216.862
Base-Backbone interact. energy: -1.696
local terms energy: -260.254011
where:
bonds (distance) C4'-P energy: -31.785
bonds (distance) P-C4' energy: -70.167
flat angles C4'-P-C4' energy: -75.227
flat angles P-C4'-P energy: -49.879
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: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -650.448771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.448771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.448771 (E_RNA)
where:
Base-Base interactions energy: -421.343
where: short stacking energy: -205.325
Base-Backbone interact. energy: 2.412
local terms energy: -231.518010
where:
bonds (distance) C4'-P energy: -58.260
bonds (distance) P-C4' energy: -51.384
flat angles C4'-P-C4' energy: -61.480
flat angles P-C4'-P energy: -31.144
tors. eta vs tors. theta energy: -29.250
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: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1466.753937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.753937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.753937 (E_RNA)
where:
Base-Base interactions energy: -1070.319
where: short stacking energy: -429.547
Base-Backbone interact. energy: -0.631
local terms energy: -395.803779
where:
bonds (distance) C4'-P energy: -72.904
bonds (distance) P-C4' energy: -69.668
flat angles C4'-P-C4' energy: -85.583
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -114.785
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: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1337.637831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.637831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.637831 (E_RNA)
where:
Base-Base interactions energy: -935.141
where: short stacking energy: -399.665
Base-Backbone interact. energy: -0.760
local terms energy: -401.736075
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -70.763
flat angles C4'-P-C4' energy: -86.115
flat angles P-C4'-P energy: -62.273
tors. eta vs tors. theta energy: -116.672
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: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1328.034203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.034203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.034203 (E_RNA)
where:
Base-Base interactions energy: -936.338
where: short stacking energy: -390.288
Base-Backbone interact. energy: -1.110
local terms energy: -390.585989
where:
bonds (distance) C4'-P energy: -65.997
bonds (distance) P-C4' energy: -75.054
flat angles C4'-P-C4' energy: -85.195
flat angles P-C4'-P energy: -57.696
tors. eta vs tors. theta energy: -106.644
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: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1230.909717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.909717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.909717 (E_RNA)
where:
Base-Base interactions energy: -874.313
where: short stacking energy: -369.510
Base-Backbone interact. energy: -2.825
local terms energy: -353.771096
where:
bonds (distance) C4'-P energy: -67.404
bonds (distance) P-C4' energy: -62.097
flat angles C4'-P-C4' energy: -78.769
flat angles P-C4'-P energy: -51.737
tors. eta vs tors. theta energy: -93.764
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: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1216.207141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.207141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.207141 (E_RNA)
where:
Base-Base interactions energy: -862.133
where: short stacking energy: -354.114
Base-Backbone interact. energy: -1.653
local terms energy: -352.421093
where:
bonds (distance) C4'-P energy: -61.785
bonds (distance) P-C4' energy: -65.292
flat angles C4'-P-C4' energy: -83.150
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -99.082
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: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1127.420604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.420604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.420604 (E_RNA)
where:
Base-Base interactions energy: -794.980
where: short stacking energy: -344.227
Base-Backbone interact. energy: -0.198
local terms energy: -332.242577
where:
bonds (distance) C4'-P energy: -65.460
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -75.537
flat angles P-C4'-P energy: -44.613
tors. eta vs tors. theta energy: -90.347
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: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1068.670144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.670144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.670144 (E_RNA)
where:
Base-Base interactions energy: -731.504
where: short stacking energy: -319.623
Base-Backbone interact. energy: -1.293
local terms energy: -335.873248
where:
bonds (distance) C4'-P energy: -68.146
bonds (distance) P-C4' energy: -65.246
flat angles C4'-P-C4' energy: -77.476
flat angles P-C4'-P energy: -50.844
tors. eta vs tors. theta energy: -74.161
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: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1078.105627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.105627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.105627 (E_RNA)
where:
Base-Base interactions energy: -763.092
where: short stacking energy: -328.392
Base-Backbone interact. energy: -1.104
local terms energy: -313.909642
where:
bonds (distance) C4'-P energy: -67.568
bonds (distance) P-C4' energy: -59.573
flat angles C4'-P-C4' energy: -73.499
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -80.427
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: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -772.240752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.240752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.240752 (E_RNA)
where:
Base-Base interactions energy: -519.053
where: short stacking energy: -237.245
Base-Backbone interact. energy: -1.664
local terms energy: -251.523725
where:
bonds (distance) C4'-P energy: -62.052
bonds (distance) P-C4' energy: -53.634
flat angles C4'-P-C4' energy: -53.500
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -42.757
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: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -595.107324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.107324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.107324 (E_RNA)
where:
Base-Base interactions energy: -402.081
where: short stacking energy: -176.853
Base-Backbone interact. energy: 1.535
local terms energy: -194.561611
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -60.735
flat angles C4'-P-C4' energy: -55.709
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1497.664842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.664842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.664842 (E_RNA)
where:
Base-Base interactions energy: -1080.221
where: short stacking energy: -440.509
Base-Backbone interact. energy: -1.516
local terms energy: -415.927270
where:
bonds (distance) C4'-P energy: -71.043
bonds (distance) P-C4' energy: -69.287
flat angles C4'-P-C4' energy: -90.711
flat angles P-C4'-P energy: -62.298
tors. eta vs tors. theta energy: -122.589
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: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1329.223438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.223438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.223438 (E_RNA)
where:
Base-Base interactions energy: -932.612
where: short stacking energy: -391.117
Base-Backbone interact. energy: -0.282
local terms energy: -396.328640
where:
bonds (distance) C4'-P energy: -68.411
bonds (distance) P-C4' energy: -76.714
flat angles C4'-P-C4' energy: -83.769
flat angles P-C4'-P energy: -61.379
tors. eta vs tors. theta energy: -106.057
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: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1337.633218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.633218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.633218 (E_RNA)
where:
Base-Base interactions energy: -937.351
where: short stacking energy: -388.765
Base-Backbone interact. energy: 0.331
local terms energy: -400.613142
where:
bonds (distance) C4'-P energy: -79.810
bonds (distance) P-C4' energy: -71.444
flat angles C4'-P-C4' energy: -78.715
flat angles P-C4'-P energy: -58.607
tors. eta vs tors. theta energy: -112.036
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: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1234.869655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.869655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.869655 (E_RNA)
where:
Base-Base interactions energy: -872.230
where: short stacking energy: -362.556
Base-Backbone interact. energy: -1.644
local terms energy: -360.995409
where:
bonds (distance) C4'-P energy: -66.709
bonds (distance) P-C4' energy: -69.980
flat angles C4'-P-C4' energy: -77.293
flat angles P-C4'-P energy: -52.233
tors. eta vs tors. theta energy: -94.781
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: 180
Temperature: 1.100000
Total energy: -1235.097294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.097294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.097294 (E_RNA)
where:
Base-Base interactions energy: -867.578
where: short stacking energy: -373.591
Base-Backbone interact. energy: 0.450
local terms energy: -367.968753
where:
bonds (distance) C4'-P energy: -58.098
bonds (distance) P-C4' energy: -65.005
flat angles C4'-P-C4' energy: -78.688
flat angles P-C4'-P energy: -49.384
tors. eta vs tors. theta energy: -116.794
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: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1166.679631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.679631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.679631 (E_RNA)
where:
Base-Base interactions energy: -816.215
where: short stacking energy: -331.597
Base-Backbone interact. energy: -0.371
local terms energy: -350.093642
where:
bonds (distance) C4'-P energy: -64.319
bonds (distance) P-C4' energy: -68.201
flat angles C4'-P-C4' energy: -71.002
flat angles P-C4'-P energy: -47.934
tors. eta vs tors. theta energy: -98.638
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: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1087.572423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.572423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.572423 (E_RNA)
where:
Base-Base interactions energy: -799.189
where: short stacking energy: -330.912
Base-Backbone interact. energy: -0.923
local terms energy: -287.460585
where:
bonds (distance) C4'-P energy: -62.523
bonds (distance) P-C4' energy: -54.440
flat angles C4'-P-C4' energy: -63.127
flat angles P-C4'-P energy: -25.233
tors. eta vs tors. theta energy: -82.138
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: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1063.424687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.424687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.424687 (E_RNA)
where:
Base-Base interactions energy: -742.128
where: short stacking energy: -316.645
Base-Backbone interact. energy: 8.049
local terms energy: -329.345547
where:
bonds (distance) C4'-P energy: -67.617
bonds (distance) P-C4' energy: -57.535
flat angles C4'-P-C4' energy: -71.022
flat angles P-C4'-P energy: -49.202
tors. eta vs tors. theta energy: -83.969
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: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -759.961876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.961876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.961876 (E_RNA)
where:
Base-Base interactions energy: -515.710
where: short stacking energy: -234.031
Base-Backbone interact. energy: -0.762
local terms energy: -243.489196
where:
bonds (distance) C4'-P energy: -49.495
bonds (distance) P-C4' energy: -56.301
flat angles C4'-P-C4' energy: -59.572
flat angles P-C4'-P energy: -47.204
tors. eta vs tors. theta energy: -30.917
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: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -640.902989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.902989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.902989 (E_RNA)
where:
Base-Base interactions energy: -400.331
where: short stacking energy: -200.149
Base-Backbone interact. energy: -1.072
local terms energy: -239.500535
where:
bonds (distance) C4'-P energy: -68.174
bonds (distance) P-C4' energy: -53.448
flat angles C4'-P-C4' energy: -54.879
flat angles P-C4'-P energy: -37.992
tors. eta vs tors. theta energy: -25.008
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: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1483.545016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.545016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.545016 (E_RNA)
where:
Base-Base interactions energy: -1063.420
where: short stacking energy: -440.295
Base-Backbone interact. energy: -1.222
local terms energy: -418.902823
where:
bonds (distance) C4'-P energy: -74.101
bonds (distance) P-C4' energy: -74.395
flat angles C4'-P-C4' energy: -89.959
flat angles P-C4'-P energy: -64.797
tors. eta vs tors. theta energy: -115.650
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: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1351.319836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.319836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.319836 (E_RNA)
where:
Base-Base interactions energy: -949.173
where: short stacking energy: -397.849
Base-Backbone interact. energy: -1.564
local terms energy: -400.582935
where:
bonds (distance) C4'-P energy: -77.138
bonds (distance) P-C4' energy: -63.647
flat angles C4'-P-C4' energy: -86.118
flat angles P-C4'-P energy: -55.620
tors. eta vs tors. theta energy: -118.061
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: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1311.331044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.331044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.331044 (E_RNA)
where:
Base-Base interactions energy: -925.778
where: short stacking energy: -400.884
Base-Backbone interact. energy: -0.148
local terms energy: -385.405119
where:
bonds (distance) C4'-P energy: -66.735
bonds (distance) P-C4' energy: -69.804
flat angles C4'-P-C4' energy: -82.011
flat angles P-C4'-P energy: -51.669
tors. eta vs tors. theta energy: -115.185
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: 181
Temperature: 1.050000
Total energy: -1238.278408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.278408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.278408 (E_RNA)
where:
Base-Base interactions energy: -891.179
where: short stacking energy: -382.330
Base-Backbone interact. energy: -2.914
local terms energy: -344.185017
where:
bonds (distance) C4'-P energy: -67.777
bonds (distance) P-C4' energy: -54.451
flat angles C4'-P-C4' energy: -79.014
flat angles P-C4'-P energy: -47.883
tors. eta vs tors. theta energy: -95.061
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: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1216.509635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.509635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.509635 (E_RNA)
where:
Base-Base interactions energy: -858.337
where: short stacking energy: -359.645
Base-Backbone interact. energy: 1.092
local terms energy: -359.264778
where:
bonds (distance) C4'-P energy: -78.091
bonds (distance) P-C4' energy: -59.760
flat angles C4'-P-C4' energy: -68.882
flat angles P-C4'-P energy: -46.862
tors. eta vs tors. theta energy: -105.670
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: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1110.351729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.351729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.351729 (E_RNA)
where:
Base-Base interactions energy: -785.126
where: short stacking energy: -324.566
Base-Backbone interact. energy: -1.901
local terms energy: -323.325073
where:
bonds (distance) C4'-P energy: -60.901
bonds (distance) P-C4' energy: -62.363
flat angles C4'-P-C4' energy: -65.647
flat angles P-C4'-P energy: -44.602
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: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1109.593266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.593266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.593266 (E_RNA)
where:
Base-Base interactions energy: -787.624
where: short stacking energy: -330.512
Base-Backbone interact. energy: -1.002
local terms energy: -320.967166
where:
bonds (distance) C4'-P energy: -37.751
bonds (distance) P-C4' energy: -73.554
flat angles C4'-P-C4' energy: -70.410
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: -93.946
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: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -985.936830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.936830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.936830 (E_RNA)
where:
Base-Base interactions energy: -691.264
where: short stacking energy: -297.698
Base-Backbone interact. energy: -1.168
local terms energy: -293.504511
where:
bonds (distance) C4'-P energy: -61.379
bonds (distance) P-C4' energy: -57.596
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: -72.030
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: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -811.527313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.527313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.527313 (E_RNA)
where:
Base-Base interactions energy: -543.199
where: short stacking energy: -221.484
Base-Backbone interact. energy: 4.209
local terms energy: -272.536806
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -67.555
flat angles C4'-P-C4' energy: -59.395
flat angles P-C4'-P energy: -40.758
tors. eta vs tors. theta energy: -38.915
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: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -673.360878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.360878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.360878 (E_RNA)
where:
Base-Base interactions energy: -412.971
where: short stacking energy: -204.414
Base-Backbone interact. energy: -1.109
local terms energy: -259.280265
where:
bonds (distance) C4'-P energy: -49.468
bonds (distance) P-C4' energy: -74.023
flat angles C4'-P-C4' energy: -65.635
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -45.580
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: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1476.365214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.365214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.365214 (E_RNA)
where:
Base-Base interactions energy: -1051.977
where: short stacking energy: -448.233
Base-Backbone interact. energy: 0.116
local terms energy: -424.504519
where:
bonds (distance) C4'-P energy: -79.027
bonds (distance) P-C4' energy: -76.955
flat angles C4'-P-C4' energy: -89.443
flat angles P-C4'-P energy: -58.739
tors. eta vs tors. theta energy: -120.341
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: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1343.353803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.353803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.353803 (E_RNA)
where:
Base-Base interactions energy: -967.099
where: short stacking energy: -401.969
Base-Backbone interact. energy: -1.038
local terms energy: -375.216673
where:
bonds (distance) C4'-P energy: -70.708
bonds (distance) P-C4' energy: -64.178
flat angles C4'-P-C4' energy: -85.171
flat angles P-C4'-P energy: -49.795
tors. eta vs tors. theta energy: -105.365
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: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1308.472272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.472272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.472272 (E_RNA)
where:
Base-Base interactions energy: -916.368
where: short stacking energy: -402.775
Base-Backbone interact. energy: -1.314
local terms energy: -390.790332
where:
bonds (distance) C4'-P energy: -72.169
bonds (distance) P-C4' energy: -68.532
flat angles C4'-P-C4' energy: -85.762
flat angles P-C4'-P energy: -53.390
tors. eta vs tors. theta energy: -110.938
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: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1235.805216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.805216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.805216 (E_RNA)
where:
Base-Base interactions energy: -889.904
where: short stacking energy: -359.910
Base-Backbone interact. energy: 0.578
local terms energy: -346.479220
where:
bonds (distance) C4'-P energy: -56.082
bonds (distance) P-C4' energy: -66.108
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -49.023
tors. eta vs tors. theta energy: -99.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1200.539849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.539849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.539849 (E_RNA)
where:
Base-Base interactions energy: -838.058
where: short stacking energy: -367.367
Base-Backbone interact. energy: -2.713
local terms energy: -359.768464
where:
bonds (distance) C4'-P energy: -62.879
bonds (distance) P-C4' energy: -66.604
flat angles C4'-P-C4' energy: -71.627
flat angles P-C4'-P energy: -52.035
tors. eta vs tors. theta energy: -106.623
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: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1114.838475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.838475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.838475 (E_RNA)
where:
Base-Base interactions energy: -778.474
where: short stacking energy: -324.247
Base-Backbone interact. energy: -2.906
local terms energy: -333.458297
where:
bonds (distance) C4'-P energy: -63.873
bonds (distance) P-C4' energy: -70.516
flat angles C4'-P-C4' energy: -81.653
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -80.208
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: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1131.206565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.206565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.206565 (E_RNA)
where:
Base-Base interactions energy: -794.895
where: short stacking energy: -307.024
Base-Backbone interact. energy: -0.074
local terms energy: -336.237941
where:
bonds (distance) C4'-P energy: -59.622
bonds (distance) P-C4' energy: -69.752
flat angles C4'-P-C4' energy: -65.471
flat angles P-C4'-P energy: -52.106
tors. eta vs tors. theta energy: -89.287
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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1007.549939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.549939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.549939 (E_RNA)
where:
Base-Base interactions energy: -694.729
where: short stacking energy: -296.486
Base-Backbone interact. energy: -0.600
local terms energy: -312.220756
where:
bonds (distance) C4'-P energy: -65.587
bonds (distance) P-C4' energy: -61.623
flat angles C4'-P-C4' energy: -72.509
flat angles P-C4'-P energy: -34.828
tors. eta vs tors. theta energy: -77.674
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: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -767.260255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.260255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.260255 (E_RNA)
where:
Base-Base interactions energy: -528.532
where: short stacking energy: -223.640
Base-Backbone interact. energy: 0.861
local terms energy: -239.589967
where:
bonds (distance) C4'-P energy: -43.151
bonds (distance) P-C4' energy: -60.516
flat angles C4'-P-C4' energy: -60.460
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -38.824
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: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -634.621811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.621811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.621811 (E_RNA)
where:
Base-Base interactions energy: -384.939
where: short stacking energy: -189.319
Base-Backbone interact. energy: -1.880
local terms energy: -247.803327
where:
bonds (distance) C4'-P energy: -60.157
bonds (distance) P-C4' energy: -47.617
flat angles C4'-P-C4' energy: -61.768
flat angles P-C4'-P energy: -37.914
tors. eta vs tors. theta energy: -40.347
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: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1487.790857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.790857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.790857 (E_RNA)
where:
Base-Base interactions energy: -1061.215
where: short stacking energy: -441.985
Base-Backbone interact. energy: -0.714
local terms energy: -425.861782
where:
bonds (distance) C4'-P energy: -71.114
bonds (distance) P-C4' energy: -80.210
flat angles C4'-P-C4' energy: -87.203
flat angles P-C4'-P energy: -58.098
tors. eta vs tors. theta energy: -129.236
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: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1343.013083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.013083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.013083 (E_RNA)
where:
Base-Base interactions energy: -950.257
where: short stacking energy: -404.275
Base-Backbone interact. energy: -1.774
local terms energy: -390.981611
where:
bonds (distance) C4'-P energy: -78.895
bonds (distance) P-C4' energy: -67.621
flat angles C4'-P-C4' energy: -90.051
flat angles P-C4'-P energy: -47.239
tors. eta vs tors. theta energy: -107.176
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: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1306.088261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.088261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.088261 (E_RNA)
where:
Base-Base interactions energy: -933.297
where: short stacking energy: -393.024
Base-Backbone interact. energy: -0.977
local terms energy: -371.814018
where:
bonds (distance) C4'-P energy: -59.522
bonds (distance) P-C4' energy: -63.609
flat angles C4'-P-C4' energy: -77.940
flat angles P-C4'-P energy: -62.023
tors. eta vs tors. theta energy: -108.721
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: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1260.329753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.329753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.329753 (E_RNA)
where:
Base-Base interactions energy: -866.653
where: short stacking energy: -362.682
Base-Backbone interact. energy: 0.003
local terms energy: -393.679269
where:
bonds (distance) C4'-P energy: -78.556
bonds (distance) P-C4' energy: -69.314
flat angles C4'-P-C4' energy: -80.271
flat angles P-C4'-P energy: -62.013
tors. eta vs tors. theta energy: -103.525
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: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1206.092385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.092385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.092385 (E_RNA)
where:
Base-Base interactions energy: -844.370
where: short stacking energy: -358.268
Base-Backbone interact. energy: -2.573
local terms energy: -359.149504
where:
bonds (distance) C4'-P energy: -70.237
bonds (distance) P-C4' energy: -62.656
flat angles C4'-P-C4' energy: -70.721
flat angles P-C4'-P energy: -48.285
tors. eta vs tors. theta energy: -107.250
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: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1160.686062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.686062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.686062 (E_RNA)
where:
Base-Base interactions energy: -824.271
where: short stacking energy: -352.133
Base-Backbone interact. energy: -1.756
local terms energy: -334.659012
where:
bonds (distance) C4'-P energy: -59.741
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -79.181
flat angles P-C4'-P energy: -47.266
tors. eta vs tors. theta energy: -93.367
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: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1081.897141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.897141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.897141 (E_RNA)
where:
Base-Base interactions energy: -776.842
where: short stacking energy: -331.838
Base-Backbone interact. energy: -0.188
local terms energy: -304.867224
where:
bonds (distance) C4'-P energy: -67.467
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -65.386
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: -75.830
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: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1032.366688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.366688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.366688 (E_RNA)
where:
Base-Base interactions energy: -718.131
where: short stacking energy: -292.032
Base-Backbone interact. energy: -0.552
local terms energy: -313.683137
where:
bonds (distance) C4'-P energy: -60.795
bonds (distance) P-C4' energy: -63.362
flat angles C4'-P-C4' energy: -76.424
flat angles P-C4'-P energy: -46.119
tors. eta vs tors. theta energy: -66.984
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: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -714.167403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.167403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.167403 (E_RNA)
where:
Base-Base interactions energy: -461.368
where: short stacking energy: -219.992
Base-Backbone interact. energy: 0.116
local terms energy: -252.914821
where:
bonds (distance) C4'-P energy: -59.941
bonds (distance) P-C4' energy: -65.187
flat angles C4'-P-C4' energy: -55.864
flat angles P-C4'-P energy: -32.417
tors. eta vs tors. theta energy: -39.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -667.046297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.046297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.046297 (E_RNA)
where:
Base-Base interactions energy: -446.635
where: short stacking energy: -191.633
Base-Backbone interact. energy: -0.294
local terms energy: -220.116911
where:
bonds (distance) C4'-P energy: -42.574
bonds (distance) P-C4' energy: -64.880
flat angles C4'-P-C4' energy: -58.396
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -27.927
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: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1476.327061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.327061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.327061 (E_RNA)
where:
Base-Base interactions energy: -1060.112
where: short stacking energy: -440.580
Base-Backbone interact. energy: -0.607
local terms energy: -415.607733
where:
bonds (distance) C4'-P energy: -69.987
bonds (distance) P-C4' energy: -71.536
flat angles C4'-P-C4' energy: -88.150
flat angles P-C4'-P energy: -57.912
tors. eta vs tors. theta energy: -128.023
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: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1360.388697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.388697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.388697 (E_RNA)
where:
Base-Base interactions energy: -958.860
where: short stacking energy: -402.184
Base-Backbone interact. energy: -0.514
local terms energy: -401.014824
where:
bonds (distance) C4'-P energy: -79.578
bonds (distance) P-C4' energy: -69.452
flat angles C4'-P-C4' energy: -83.529
flat angles P-C4'-P energy: -56.242
tors. eta vs tors. theta energy: -112.212
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: 184
Temperature: 1.000000
Total energy: -1301.225478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.225478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.225478 (E_RNA)
where:
Base-Base interactions energy: -913.395
where: short stacking energy: -401.467
Base-Backbone interact. energy: -1.072
local terms energy: -386.758384
where:
bonds (distance) C4'-P energy: -66.364
bonds (distance) P-C4' energy: -65.148
flat angles C4'-P-C4' energy: -85.426
flat angles P-C4'-P energy: -48.915
tors. eta vs tors. theta energy: -120.904
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: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1273.506273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.506273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.506273 (E_RNA)
where:
Base-Base interactions energy: -913.128
where: short stacking energy: -380.265
Base-Backbone interact. energy: -2.298
local terms energy: -358.080028
where:
bonds (distance) C4'-P energy: -66.691
bonds (distance) P-C4' energy: -68.973
flat angles C4'-P-C4' energy: -75.284
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -94.242
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: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1211.608112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.608112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.608112 (E_RNA)
where:
Base-Base interactions energy: -861.679
where: short stacking energy: -380.701
Base-Backbone interact. energy: -0.643
local terms energy: -349.286487
where:
bonds (distance) C4'-P energy: -63.295
bonds (distance) P-C4' energy: -58.192
flat angles C4'-P-C4' energy: -70.834
flat angles P-C4'-P energy: -52.519
tors. eta vs tors. theta energy: -104.446
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: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1104.910788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.910788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.910788 (E_RNA)
where:
Base-Base interactions energy: -776.853
where: short stacking energy: -345.591
Base-Backbone interact. energy: -2.366
local terms energy: -325.691348
where:
bonds (distance) C4'-P energy: -53.958
bonds (distance) P-C4' energy: -72.181
flat angles C4'-P-C4' energy: -66.425
flat angles P-C4'-P energy: -36.429
tors. eta vs tors. theta energy: -96.698
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: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1027.639788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.639788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.639788 (E_RNA)
where:
Base-Base interactions energy: -713.178
where: short stacking energy: -320.932
Base-Backbone interact. energy: 0.664
local terms energy: -315.125615
where:
bonds (distance) C4'-P energy: -54.426
bonds (distance) P-C4' energy: -70.756
flat angles C4'-P-C4' energy: -77.055
flat angles P-C4'-P energy: -34.509
tors. eta vs tors. theta energy: -78.379
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: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1083.258185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.258185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.258185 (E_RNA)
where:
Base-Base interactions energy: -765.668
where: short stacking energy: -304.820
Base-Backbone interact. energy: -0.844
local terms energy: -316.747026
where:
bonds (distance) C4'-P energy: -66.564
bonds (distance) P-C4' energy: -71.544
flat angles C4'-P-C4' energy: -55.887
flat angles P-C4'-P energy: -39.891
tors. eta vs tors. theta energy: -82.862
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: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -741.333677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.333677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.333677 (E_RNA)
where:
Base-Base interactions energy: -490.800
where: short stacking energy: -212.030
Base-Backbone interact. energy: 0.016
local terms energy: -250.549157
where:
bonds (distance) C4'-P energy: -52.862
bonds (distance) P-C4' energy: -66.009
flat angles C4'-P-C4' energy: -68.676
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -25.891
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: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -688.662325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.662325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.662325 (E_RNA)
where:
Base-Base interactions energy: -432.270
where: short stacking energy: -181.475
Base-Backbone interact. energy: -1.464
local terms energy: -254.928416
where:
bonds (distance) C4'-P energy: -60.892
bonds (distance) P-C4' energy: -66.746
flat angles C4'-P-C4' energy: -54.609
flat angles P-C4'-P energy: -37.717
tors. eta vs tors. theta energy: -34.965
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: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1480.495875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.495875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.495875 (E_RNA)
where:
Base-Base interactions energy: -1054.398
where: short stacking energy: -434.443
Base-Backbone interact. energy: -1.416
local terms energy: -424.682253
where:
bonds (distance) C4'-P energy: -68.474
bonds (distance) P-C4' energy: -80.318
flat angles C4'-P-C4' energy: -90.029
flat angles P-C4'-P energy: -69.100
tors. eta vs tors. theta energy: -116.761
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: 185
Temperature: 0.950000
Total energy: -1338.436687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.436687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.436687 (E_RNA)
where:
Base-Base interactions energy: -934.078
where: short stacking energy: -401.622
Base-Backbone interact. energy: -0.583
local terms energy: -403.775814
where:
bonds (distance) C4'-P energy: -76.685
bonds (distance) P-C4' energy: -75.419
flat angles C4'-P-C4' energy: -80.397
flat angles P-C4'-P energy: -55.648
tors. eta vs tors. theta energy: -115.626
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: 185
Temperature: 1.000000
Total energy: -1336.133580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.133580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.133580 (E_RNA)
where:
Base-Base interactions energy: -955.758
where: short stacking energy: -394.302
Base-Backbone interact. energy: -1.117
local terms energy: -379.258516
where:
bonds (distance) C4'-P energy: -64.334
bonds (distance) P-C4' energy: -63.903
flat angles C4'-P-C4' energy: -84.693
flat angles P-C4'-P energy: -56.794
tors. eta vs tors. theta energy: -109.534
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: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1241.818755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.818755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.818755 (E_RNA)
where:
Base-Base interactions energy: -886.421
where: short stacking energy: -349.179
Base-Backbone interact. energy: -3.183
local terms energy: -352.215183
where:
bonds (distance) C4'-P energy: -63.600
bonds (distance) P-C4' energy: -66.196
flat angles C4'-P-C4' energy: -75.391
flat angles P-C4'-P energy: -63.240
tors. eta vs tors. theta energy: -83.788
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1203.786912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.786912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.786912 (E_RNA)
where:
Base-Base interactions energy: -844.145
where: short stacking energy: -373.967
Base-Backbone interact. energy: 0.362
local terms energy: -360.004185
where:
bonds (distance) C4'-P energy: -61.060
bonds (distance) P-C4' energy: -62.562
flat angles C4'-P-C4' energy: -82.839
flat angles P-C4'-P energy: -50.653
tors. eta vs tors. theta energy: -102.890
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: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1105.108872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.108872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.108872 (E_RNA)
where:
Base-Base interactions energy: -786.768
where: short stacking energy: -337.136
Base-Backbone interact. energy: 1.439
local terms energy: -319.779413
where:
bonds (distance) C4'-P energy: -64.075
bonds (distance) P-C4' energy: -55.706
flat angles C4'-P-C4' energy: -67.365
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -85.236
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: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1040.236897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.236897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.236897 (E_RNA)
where:
Base-Base interactions energy: -707.171
where: short stacking energy: -307.456
Base-Backbone interact. energy: -1.315
local terms energy: -331.751252
where:
bonds (distance) C4'-P energy: -56.895
bonds (distance) P-C4' energy: -73.277
flat angles C4'-P-C4' energy: -76.296
flat angles P-C4'-P energy: -46.545
tors. eta vs tors. theta energy: -78.738
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1024.260010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.260010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.260010 (E_RNA)
where:
Base-Base interactions energy: -728.828
where: short stacking energy: -299.536
Base-Backbone interact. energy: -1.675
local terms energy: -293.756980
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -61.129
flat angles C4'-P-C4' energy: -69.365
flat angles P-C4'-P energy: -37.347
tors. eta vs tors. theta energy: -74.061
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: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -734.621721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.621721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.621721 (E_RNA)
where:
Base-Base interactions energy: -474.461
where: short stacking energy: -211.285
Base-Backbone interact. energy: -1.067
local terms energy: -259.093605
where:
bonds (distance) C4'-P energy: -63.747
bonds (distance) P-C4' energy: -59.853
flat angles C4'-P-C4' energy: -55.541
flat angles P-C4'-P energy: -46.172
tors. eta vs tors. theta energy: -33.780
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: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -742.762989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.762989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.762989 (E_RNA)
where:
Base-Base interactions energy: -469.944
where: short stacking energy: -210.248
Base-Backbone interact. energy: 2.777
local terms energy: -275.596127
where:
bonds (distance) C4'-P energy: -60.917
bonds (distance) P-C4' energy: -65.098
flat angles C4'-P-C4' energy: -73.549
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -35.766
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: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1472.118649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.118649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.118649 (E_RNA)
where:
Base-Base interactions energy: -1042.474
where: short stacking energy: -437.173
Base-Backbone interact. energy: -1.164
local terms energy: -428.481003
where:
bonds (distance) C4'-P energy: -73.669
bonds (distance) P-C4' energy: -76.258
flat angles C4'-P-C4' energy: -90.832
flat angles P-C4'-P energy: -59.957
tors. eta vs tors. theta energy: -127.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1332.559726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.559726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.559726 (E_RNA)
where:
Base-Base interactions energy: -943.851
where: short stacking energy: -404.295
Base-Backbone interact. energy: 0.441
local terms energy: -389.149391
where:
bonds (distance) C4'-P energy: -66.109
bonds (distance) P-C4' energy: -81.439
flat angles C4'-P-C4' energy: -85.962
flat angles P-C4'-P energy: -45.765
tors. eta vs tors. theta energy: -109.874
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: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1361.875349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.875349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.875349 (E_RNA)
where:
Base-Base interactions energy: -974.617
where: short stacking energy: -407.326
Base-Backbone interact. energy: -0.770
local terms energy: -386.488336
where:
bonds (distance) C4'-P energy: -68.543
bonds (distance) P-C4' energy: -64.907
flat angles C4'-P-C4' energy: -77.196
flat angles P-C4'-P energy: -60.758
tors. eta vs tors. theta energy: -115.084
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: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1233.760220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.760220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.760220 (E_RNA)
where:
Base-Base interactions energy: -868.294
where: short stacking energy: -361.742
Base-Backbone interact. energy: -0.707
local terms energy: -364.759051
where:
bonds (distance) C4'-P energy: -67.248
bonds (distance) P-C4' energy: -67.255
flat angles C4'-P-C4' energy: -77.218
flat angles P-C4'-P energy: -51.924
tors. eta vs tors. theta energy: -101.113
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: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1178.758653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.758653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.758653 (E_RNA)
where:
Base-Base interactions energy: -829.237
where: short stacking energy: -370.130
Base-Backbone interact. energy: -0.383
local terms energy: -349.138322
where:
bonds (distance) C4'-P energy: -59.987
bonds (distance) P-C4' energy: -67.169
flat angles C4'-P-C4' energy: -78.384
flat angles P-C4'-P energy: -33.112
tors. eta vs tors. theta energy: -110.486
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: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1123.635234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.635234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.635234 (E_RNA)
where:
Base-Base interactions energy: -800.357
where: short stacking energy: -338.786
Base-Backbone interact. energy: 1.721
local terms energy: -324.998856
where:
bonds (distance) C4'-P energy: -54.500
bonds (distance) P-C4' energy: -66.599
flat angles C4'-P-C4' energy: -69.245
flat angles P-C4'-P energy: -49.685
tors. eta vs tors. theta energy: -84.971
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: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1029.762234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.762234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.762234 (E_RNA)
where:
Base-Base interactions energy: -712.340
where: short stacking energy: -302.953
Base-Backbone interact. energy: 0.260
local terms energy: -317.681823
where:
bonds (distance) C4'-P energy: -64.129
bonds (distance) P-C4' energy: -60.525
flat angles C4'-P-C4' energy: -70.042
flat angles P-C4'-P energy: -44.358
tors. eta vs tors. theta energy: -78.628
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: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1033.115072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.115072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.115072 (E_RNA)
where:
Base-Base interactions energy: -734.141
where: short stacking energy: -305.276
Base-Backbone interact. energy: -1.267
local terms energy: -297.706961
where:
bonds (distance) C4'-P energy: -58.686
bonds (distance) P-C4' energy: -54.996
flat angles C4'-P-C4' energy: -71.577
flat angles P-C4'-P energy: -45.695
tors. eta vs tors. theta energy: -66.753
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: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -740.957167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.957167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.957167 (E_RNA)
where:
Base-Base interactions energy: -467.770
where: short stacking energy: -195.631
Base-Backbone interact. energy: -0.657
local terms energy: -272.530767
where:
bonds (distance) C4'-P energy: -63.881
bonds (distance) P-C4' energy: -68.981
flat angles C4'-P-C4' energy: -58.459
flat angles P-C4'-P energy: -38.327
tors. eta vs tors. theta energy: -42.882
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: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -687.190055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.190055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.190055 (E_RNA)
where:
Base-Base interactions energy: -445.199
where: short stacking energy: -194.908
Base-Backbone interact. energy: 3.662
local terms energy: -245.652656
where:
bonds (distance) C4'-P energy: -61.734
bonds (distance) P-C4' energy: -50.450
flat angles C4'-P-C4' energy: -64.159
flat angles P-C4'-P energy: -32.059
tors. eta vs tors. theta energy: -37.250
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: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1467.504360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.504360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.504360 (E_RNA)
where:
Base-Base interactions energy: -1047.978
where: short stacking energy: -420.315
Base-Backbone interact. energy: 2.172
local terms energy: -421.697948
where:
bonds (distance) C4'-P energy: -79.869
bonds (distance) P-C4' energy: -77.437
flat angles C4'-P-C4' energy: -86.259
flat angles P-C4'-P energy: -59.222
tors. eta vs tors. theta energy: -118.911
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: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1364.362810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.362810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.362810 (E_RNA)
where:
Base-Base interactions energy: -964.949
where: short stacking energy: -409.700
Base-Backbone interact. energy: -0.767
local terms energy: -398.647165
where:
bonds (distance) C4'-P energy: -68.672
bonds (distance) P-C4' energy: -72.697
flat angles C4'-P-C4' energy: -88.391
flat angles P-C4'-P energy: -52.581
tors. eta vs tors. theta energy: -116.307
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: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1305.505415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.505415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.505415 (E_RNA)
where:
Base-Base interactions energy: -932.486
where: short stacking energy: -395.603
Base-Backbone interact. energy: 1.012
local terms energy: -374.031177
where:
bonds (distance) C4'-P energy: -70.192
bonds (distance) P-C4' energy: -69.027
flat angles C4'-P-C4' energy: -83.488
flat angles P-C4'-P energy: -40.083
tors. eta vs tors. theta energy: -111.241
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: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1261.327104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.327104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.327104 (E_RNA)
where:
Base-Base interactions energy: -890.092
where: short stacking energy: -374.019
Base-Backbone interact. energy: 0.290
local terms energy: -371.524781
where:
bonds (distance) C4'-P energy: -76.118
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -87.002
flat angles P-C4'-P energy: -51.518
tors. eta vs tors. theta energy: -98.904
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: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1186.589853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.589853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.589853 (E_RNA)
where:
Base-Base interactions energy: -842.421
where: short stacking energy: -355.082
Base-Backbone interact. energy: -2.853
local terms energy: -341.315677
where:
bonds (distance) C4'-P energy: -60.694
bonds (distance) P-C4' energy: -61.746
flat angles C4'-P-C4' energy: -65.900
flat angles P-C4'-P energy: -43.975
tors. eta vs tors. theta energy: -109.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1109.067771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.067771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.067771 (E_RNA)
where:
Base-Base interactions energy: -774.531
where: short stacking energy: -324.773
Base-Backbone interact. energy: 1.032
local terms energy: -335.568269
where:
bonds (distance) C4'-P energy: -55.369
bonds (distance) P-C4' energy: -68.173
flat angles C4'-P-C4' energy: -73.617
flat angles P-C4'-P energy: -46.967
tors. eta vs tors. theta energy: -91.442
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: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1029.399165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.399165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.399165 (E_RNA)
where:
Base-Base interactions energy: -714.482
where: short stacking energy: -287.504
Base-Backbone interact. energy: -0.478
local terms energy: -314.439210
where:
bonds (distance) C4'-P energy: -69.494
bonds (distance) P-C4' energy: -67.610
flat angles C4'-P-C4' energy: -63.243
flat angles P-C4'-P energy: -32.611
tors. eta vs tors. theta energy: -81.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -936.491168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.491168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.491168 (E_RNA)
where:
Base-Base interactions energy: -651.971
where: short stacking energy: -267.497
Base-Backbone interact. energy: -1.990
local terms energy: -282.530557
where:
bonds (distance) C4'-P energy: -62.778
bonds (distance) P-C4' energy: -61.963
flat angles C4'-P-C4' energy: -66.656
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: -53.418
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: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -772.150252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.150252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.150252 (E_RNA)
where:
Base-Base interactions energy: -484.098
where: short stacking energy: -215.221
Base-Backbone interact. energy: 0.059
local terms energy: -288.110638
where:
bonds (distance) C4'-P energy: -64.457
bonds (distance) P-C4' energy: -64.669
flat angles C4'-P-C4' energy: -68.974
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: -41.975
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: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -630.867043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.867043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.867043 (E_RNA)
where:
Base-Base interactions energy: -405.661
where: short stacking energy: -175.899
Base-Backbone interact. energy: 1.229
local terms energy: -226.435555
where:
bonds (distance) C4'-P energy: -55.053
bonds (distance) P-C4' energy: -55.421
flat angles C4'-P-C4' energy: -52.538
flat angles P-C4'-P energy: -26.728
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: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1491.342092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.342092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.342092 (E_RNA)
where:
Base-Base interactions energy: -1056.481
where: short stacking energy: -453.666
Base-Backbone interact. energy: -0.481
local terms energy: -434.380535
where:
bonds (distance) C4'-P energy: -83.858
bonds (distance) P-C4' energy: -71.535
flat angles C4'-P-C4' energy: -94.141
flat angles P-C4'-P energy: -65.079
tors. eta vs tors. theta energy: -119.768
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: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1358.820121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.820121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.820121 (E_RNA)
where:
Base-Base interactions energy: -956.864
where: short stacking energy: -400.995
Base-Backbone interact. energy: 0.699
local terms energy: -402.655243
where:
bonds (distance) C4'-P energy: -76.667
bonds (distance) P-C4' energy: -77.131
flat angles C4'-P-C4' energy: -71.557
flat angles P-C4'-P energy: -64.083
tors. eta vs tors. theta energy: -113.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1287.114226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.114226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.114226 (E_RNA)
where:
Base-Base interactions energy: -907.828
where: short stacking energy: -381.914
Base-Backbone interact. energy: -1.458
local terms energy: -377.827700
where:
bonds (distance) C4'-P energy: -74.568
bonds (distance) P-C4' energy: -62.049
flat angles C4'-P-C4' energy: -83.079
flat angles P-C4'-P energy: -48.141
tors. eta vs tors. theta energy: -109.991
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: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1267.091193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.091193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.091193 (E_RNA)
where:
Base-Base interactions energy: -910.424
where: short stacking energy: -382.086
Base-Backbone interact. energy: -0.821
local terms energy: -355.846165
where:
bonds (distance) C4'-P energy: -54.774
bonds (distance) P-C4' energy: -64.043
flat angles C4'-P-C4' energy: -79.408
flat angles P-C4'-P energy: -54.705
tors. eta vs tors. theta energy: -102.917
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: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1235.005052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.005052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.005052 (E_RNA)
where:
Base-Base interactions energy: -875.325
where: short stacking energy: -386.569
Base-Backbone interact. energy: -3.540
local terms energy: -356.139719
where:
bonds (distance) C4'-P energy: -58.007
bonds (distance) P-C4' energy: -67.267
flat angles C4'-P-C4' energy: -76.570
flat angles P-C4'-P energy: -46.295
tors. eta vs tors. theta energy: -108.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1119.061475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.061475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.061475 (E_RNA)
where:
Base-Base interactions energy: -781.762
where: short stacking energy: -341.552
Base-Backbone interact. energy: -3.812
local terms energy: -333.487180
where:
bonds (distance) C4'-P energy: -48.478
bonds (distance) P-C4' energy: -69.837
flat angles C4'-P-C4' energy: -72.203
flat angles P-C4'-P energy: -53.621
tors. eta vs tors. theta energy: -89.348
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: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1062.976831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.976831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.976831 (E_RNA)
where:
Base-Base interactions energy: -736.052
where: short stacking energy: -309.478
Base-Backbone interact. energy: -1.486
local terms energy: -325.439515
where:
bonds (distance) C4'-P energy: -71.781
bonds (distance) P-C4' energy: -61.138
flat angles C4'-P-C4' energy: -78.195
flat angles P-C4'-P energy: -37.972
tors. eta vs tors. theta energy: -76.354
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: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1018.277880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.277880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.277880 (E_RNA)
where:
Base-Base interactions energy: -699.817
where: short stacking energy: -269.556
Base-Backbone interact. energy: -2.147
local terms energy: -316.313404
where:
bonds (distance) C4'-P energy: -68.526
bonds (distance) P-C4' energy: -62.220
flat angles C4'-P-C4' energy: -75.585
flat angles P-C4'-P energy: -40.953
tors. eta vs tors. theta energy: -69.030
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: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -804.114535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.114535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.114535 (E_RNA)
where:
Base-Base interactions energy: -550.586
where: short stacking energy: -220.598
Base-Backbone interact. energy: 1.121
local terms energy: -254.648673
where:
bonds (distance) C4'-P energy: -49.588
bonds (distance) P-C4' energy: -66.263
flat angles C4'-P-C4' energy: -48.688
flat angles P-C4'-P energy: -44.856
tors. eta vs tors. theta energy: -45.254
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: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -658.503176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.503176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.503176 (E_RNA)
where:
Base-Base interactions energy: -405.216
where: short stacking energy: -184.216
Base-Backbone interact. energy: 1.165
local terms energy: -254.452232
where:
bonds (distance) C4'-P energy: -58.137
bonds (distance) P-C4' energy: -66.940
flat angles C4'-P-C4' energy: -58.791
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -28.969
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: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1478.065982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.065982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.065982 (E_RNA)
where:
Base-Base interactions energy: -1059.225
where: short stacking energy: -421.692
Base-Backbone interact. energy: -0.235
local terms energy: -418.605664
where:
bonds (distance) C4'-P energy: -78.600
bonds (distance) P-C4' energy: -78.168
flat angles C4'-P-C4' energy: -89.226
flat angles P-C4'-P energy: -53.376
tors. eta vs tors. theta energy: -119.235
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: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1371.533117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.533117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.533117 (E_RNA)
where:
Base-Base interactions energy: -971.009
where: short stacking energy: -406.080
Base-Backbone interact. energy: 0.190
local terms energy: -400.714563
where:
bonds (distance) C4'-P energy: -70.100
bonds (distance) P-C4' energy: -74.875
flat angles C4'-P-C4' energy: -77.654
flat angles P-C4'-P energy: -63.610
tors. eta vs tors. theta energy: -114.476
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: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1289.850177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.850177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.850177 (E_RNA)
where:
Base-Base interactions energy: -908.874
where: short stacking energy: -382.785
Base-Backbone interact. energy: -2.047
local terms energy: -378.929461
where:
bonds (distance) C4'-P energy: -68.368
bonds (distance) P-C4' energy: -68.591
flat angles C4'-P-C4' energy: -79.721
flat angles P-C4'-P energy: -55.921
tors. eta vs tors. theta energy: -106.329
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: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1268.893171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.893171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.893171 (E_RNA)
where:
Base-Base interactions energy: -900.522
where: short stacking energy: -369.291
Base-Backbone interact. energy: 0.565
local terms energy: -368.935650
where:
bonds (distance) C4'-P energy: -69.407
bonds (distance) P-C4' energy: -54.413
flat angles C4'-P-C4' energy: -78.892
flat angles P-C4'-P energy: -58.321
tors. eta vs tors. theta energy: -107.904
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: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1206.027275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.027275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.027275 (E_RNA)
where:
Base-Base interactions energy: -848.478
where: short stacking energy: -369.479
Base-Backbone interact. energy: -3.070
local terms energy: -354.479353
where:
bonds (distance) C4'-P energy: -55.261
bonds (distance) P-C4' energy: -61.859
flat angles C4'-P-C4' energy: -84.150
flat angles P-C4'-P energy: -45.118
tors. eta vs tors. theta energy: -108.091
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: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1102.289200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.289200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.289200 (E_RNA)
where:
Base-Base interactions energy: -763.081
where: short stacking energy: -319.547
Base-Backbone interact. energy: -1.196
local terms energy: -338.012404
where:
bonds (distance) C4'-P energy: -63.234
bonds (distance) P-C4' energy: -76.165
flat angles C4'-P-C4' energy: -77.746
flat angles P-C4'-P energy: -38.140
tors. eta vs tors. theta energy: -82.728
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: 189
Temperature: 1.200000
Total energy: -1061.283736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.283736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.283736 (E_RNA)
where:
Base-Base interactions energy: -747.540
where: short stacking energy: -334.282
Base-Backbone interact. energy: -1.186
local terms energy: -312.558391
where:
bonds (distance) C4'-P energy: -58.909
bonds (distance) P-C4' energy: -55.632
flat angles C4'-P-C4' energy: -75.718
flat angles P-C4'-P energy: -33.394
tors. eta vs tors. theta energy: -88.905
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: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1001.720723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.720723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.720723 (E_RNA)
where:
Base-Base interactions energy: -699.972
where: short stacking energy: -284.514
Base-Backbone interact. energy: -0.534
local terms energy: -301.213994
where:
bonds (distance) C4'-P energy: -70.109
bonds (distance) P-C4' energy: -63.025
flat angles C4'-P-C4' energy: -68.864
flat angles P-C4'-P energy: -29.522
tors. eta vs tors. theta energy: -69.695
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: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -790.198066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.198066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.198066 (E_RNA)
where:
Base-Base interactions energy: -545.340
where: short stacking energy: -224.520
Base-Backbone interact. energy: -0.761
local terms energy: -244.096394
where:
bonds (distance) C4'-P energy: -49.020
bonds (distance) P-C4' energy: -58.013
flat angles C4'-P-C4' energy: -57.893
flat angles P-C4'-P energy: -33.920
tors. eta vs tors. theta energy: -45.251
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: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -624.142506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.142506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.142506 (E_RNA)
where:
Base-Base interactions energy: -391.105
where: short stacking energy: -192.836
Base-Backbone interact. energy: -0.064
local terms energy: -232.973003
where:
bonds (distance) C4'-P energy: -44.612
bonds (distance) P-C4' energy: -61.992
flat angles C4'-P-C4' energy: -58.192
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -43.048
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: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1486.193914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.193914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.193914 (E_RNA)
where:
Base-Base interactions energy: -1060.978
where: short stacking energy: -446.165
Base-Backbone interact. energy: -0.557
local terms energy: -424.658935
where:
bonds (distance) C4'-P energy: -76.542
bonds (distance) P-C4' energy: -76.427
flat angles C4'-P-C4' energy: -89.457
flat angles P-C4'-P energy: -60.047
tors. eta vs tors. theta energy: -122.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1365.843608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.843608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.843608 (E_RNA)
where:
Base-Base interactions energy: -970.271
where: short stacking energy: -394.772
Base-Backbone interact. energy: -0.784
local terms energy: -394.788456
where:
bonds (distance) C4'-P energy: -77.741
bonds (distance) P-C4' energy: -75.476
flat angles C4'-P-C4' energy: -82.337
flat angles P-C4'-P energy: -51.983
tors. eta vs tors. theta energy: -107.252
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: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1282.403511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.403511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.403511 (E_RNA)
where:
Base-Base interactions energy: -895.799
where: short stacking energy: -381.395
Base-Backbone interact. energy: 0.392
local terms energy: -386.995995
where:
bonds (distance) C4'-P energy: -62.791
bonds (distance) P-C4' energy: -78.037
flat angles C4'-P-C4' energy: -83.356
flat angles P-C4'-P energy: -56.682
tors. eta vs tors. theta energy: -106.131
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: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1257.475529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.475529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.475529 (E_RNA)
where:
Base-Base interactions energy: -915.109
where: short stacking energy: -381.083
Base-Backbone interact. energy: -1.272
local terms energy: -341.093676
where:
bonds (distance) C4'-P energy: -60.673
bonds (distance) P-C4' energy: -62.692
flat angles C4'-P-C4' energy: -76.246
flat angles P-C4'-P energy: -45.659
tors. eta vs tors. theta energy: -95.823
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: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1191.166887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.166887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.166887 (E_RNA)
where:
Base-Base interactions energy: -822.707
where: short stacking energy: -373.239
Base-Backbone interact. energy: -1.345
local terms energy: -367.114800
where:
bonds (distance) C4'-P energy: -73.967
bonds (distance) P-C4' energy: -70.459
flat angles C4'-P-C4' energy: -65.582
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -111.539
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: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1120.319252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.319252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.319252 (E_RNA)
where:
Base-Base interactions energy: -795.382
where: short stacking energy: -335.315
Base-Backbone interact. energy: 0.897
local terms energy: -325.833616
where:
bonds (distance) C4'-P energy: -61.963
bonds (distance) P-C4' energy: -68.212
flat angles C4'-P-C4' energy: -69.351
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -88.543
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: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1012.783546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.783546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.783546 (E_RNA)
where:
Base-Base interactions energy: -685.232
where: short stacking energy: -296.727
Base-Backbone interact. energy: -1.558
local terms energy: -325.993579
where:
bonds (distance) C4'-P energy: -73.095
bonds (distance) P-C4' energy: -79.208
flat angles C4'-P-C4' energy: -64.660
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -73.136
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: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1037.907605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.907605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.907605 (E_RNA)
where:
Base-Base interactions energy: -716.284
where: short stacking energy: -306.457
Base-Backbone interact. energy: 1.194
local terms energy: -322.817999
where:
bonds (distance) C4'-P energy: -57.964
bonds (distance) P-C4' energy: -63.768
flat angles C4'-P-C4' energy: -70.504
flat angles P-C4'-P energy: -45.543
tors. eta vs tors. theta energy: -85.038
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: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -797.499016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.499016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.499016 (E_RNA)
where:
Base-Base interactions energy: -545.483
where: short stacking energy: -237.992
Base-Backbone interact. energy: -1.598
local terms energy: -250.418008
where:
bonds (distance) C4'-P energy: -47.393
bonds (distance) P-C4' energy: -64.550
flat angles C4'-P-C4' energy: -63.892
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -42.747
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: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -595.777801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.777801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.777801 (E_RNA)
where:
Base-Base interactions energy: -381.551
where: short stacking energy: -164.575
Base-Backbone interact. energy: -0.668
local terms energy: -213.559368
where:
bonds (distance) C4'-P energy: -59.637
bonds (distance) P-C4' energy: -62.793
flat angles C4'-P-C4' energy: -54.563
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -25.065
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: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1469.369279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.369279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.369279 (E_RNA)
where:
Base-Base interactions energy: -1041.024
where: short stacking energy: -437.803
Base-Backbone interact. energy: 0.234
local terms energy: -428.579628
where:
bonds (distance) C4'-P energy: -74.645
bonds (distance) P-C4' energy: -78.657
flat angles C4'-P-C4' energy: -91.374
flat angles P-C4'-P energy: -60.279
tors. eta vs tors. theta energy: -123.624
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: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1354.838160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.838160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.838160 (E_RNA)
where:
Base-Base interactions energy: -971.967
where: short stacking energy: -384.838
Base-Backbone interact. energy: -1.576
local terms energy: -381.294999
where:
bonds (distance) C4'-P energy: -66.651
bonds (distance) P-C4' energy: -68.538
flat angles C4'-P-C4' energy: -83.589
flat angles P-C4'-P energy: -52.681
tors. eta vs tors. theta energy: -109.836
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: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1286.095407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.095407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.095407 (E_RNA)
where:
Base-Base interactions energy: -918.313
where: short stacking energy: -383.094
Base-Backbone interact. energy: -0.480
local terms energy: -367.302357
where:
bonds (distance) C4'-P energy: -67.418
bonds (distance) P-C4' energy: -72.290
flat angles C4'-P-C4' energy: -82.709
flat angles P-C4'-P energy: -40.048
tors. eta vs tors. theta energy: -104.839
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: 191
Temperature: 1.050000
Total energy: -1215.995273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.995273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.995273 (E_RNA)
where:
Base-Base interactions energy: -856.752
where: short stacking energy: -368.634
Base-Backbone interact. energy: 1.288
local terms energy: -360.530660
where:
bonds (distance) C4'-P energy: -71.555
bonds (distance) P-C4' energy: -59.361
flat angles C4'-P-C4' energy: -75.302
flat angles P-C4'-P energy: -54.773
tors. eta vs tors. theta energy: -99.540
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: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1211.398633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.398633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.398633 (E_RNA)
where:
Base-Base interactions energy: -853.401
where: short stacking energy: -356.724
Base-Backbone interact. energy: -3.087
local terms energy: -354.910968
where:
bonds (distance) C4'-P energy: -67.140
bonds (distance) P-C4' energy: -70.150
flat angles C4'-P-C4' energy: -77.113
flat angles P-C4'-P energy: -52.875
tors. eta vs tors. theta energy: -87.632
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: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1131.454838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.454838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.454838 (E_RNA)
where:
Base-Base interactions energy: -794.746
where: short stacking energy: -333.873
Base-Backbone interact. energy: 3.379
local terms energy: -340.087918
where:
bonds (distance) C4'-P energy: -72.298
bonds (distance) P-C4' energy: -59.263
flat angles C4'-P-C4' energy: -77.673
flat angles P-C4'-P energy: -46.399
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: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -978.447057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.447057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.447057 (E_RNA)
where:
Base-Base interactions energy: -675.013
where: short stacking energy: -277.789
Base-Backbone interact. energy: -2.203
local terms energy: -301.230742
where:
bonds (distance) C4'-P energy: -68.972
bonds (distance) P-C4' energy: -63.874
flat angles C4'-P-C4' energy: -66.043
flat angles P-C4'-P energy: -36.078
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: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1035.555364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.555364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.555364 (E_RNA)
where:
Base-Base interactions energy: -729.706
where: short stacking energy: -300.969
Base-Backbone interact. energy: 1.200
local terms energy: -307.049474
where:
bonds (distance) C4'-P energy: -54.905
bonds (distance) P-C4' energy: -55.343
flat angles C4'-P-C4' energy: -63.216
flat angles P-C4'-P energy: -45.848
tors. eta vs tors. theta energy: -87.738
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: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -807.397725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.397725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.397725 (E_RNA)
where:
Base-Base interactions energy: -534.248
where: short stacking energy: -224.906
Base-Backbone interact. energy: 0.198
local terms energy: -273.347006
where:
bonds (distance) C4'-P energy: -70.443
bonds (distance) P-C4' energy: -48.254
flat angles C4'-P-C4' energy: -73.523
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -48.804
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: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -599.785018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.785018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.785018 (E_RNA)
where:
Base-Base interactions energy: -370.280
where: short stacking energy: -173.743
Base-Backbone interact. energy: -0.019
local terms energy: -229.486231
where:
bonds (distance) C4'-P energy: -49.027
bonds (distance) P-C4' energy: -70.713
flat angles C4'-P-C4' energy: -56.109
flat angles P-C4'-P energy: -34.983
tors. eta vs tors. theta energy: -18.654
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: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1466.041859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.041859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.041859 (E_RNA)
where:
Base-Base interactions energy: -1044.081
where: short stacking energy: -430.948
Base-Backbone interact. energy: -0.967
local terms energy: -420.993572
where:
bonds (distance) C4'-P energy: -71.838
bonds (distance) P-C4' energy: -72.816
flat angles C4'-P-C4' energy: -89.988
flat angles P-C4'-P energy: -65.248
tors. eta vs tors. theta energy: -121.103
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: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1369.681646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.681646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.681646 (E_RNA)
where:
Base-Base interactions energy: -974.831
where: short stacking energy: -383.185
Base-Backbone interact. energy: -1.965
local terms energy: -392.884905
where:
bonds (distance) C4'-P energy: -66.124
bonds (distance) P-C4' energy: -75.488
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -60.995
tors. eta vs tors. theta energy: -112.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1298.852311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.852311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.852311 (E_RNA)
where:
Base-Base interactions energy: -914.439
where: short stacking energy: -381.372
Base-Backbone interact. energy: -0.781
local terms energy: -383.632515
where:
bonds (distance) C4'-P energy: -65.982
bonds (distance) P-C4' energy: -72.377
flat angles C4'-P-C4' energy: -80.299
flat angles P-C4'-P energy: -54.840
tors. eta vs tors. theta energy: -110.135
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: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1218.935881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.935881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.935881 (E_RNA)
where:
Base-Base interactions energy: -825.028
where: short stacking energy: -372.837
Base-Backbone interact. energy: -1.399
local terms energy: -392.508108
where:
bonds (distance) C4'-P energy: -71.849
bonds (distance) P-C4' energy: -74.082
flat angles C4'-P-C4' energy: -87.222
flat angles P-C4'-P energy: -55.544
tors. eta vs tors. theta energy: -103.812
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: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1226.270648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.270648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.270648 (E_RNA)
where:
Base-Base interactions energy: -869.155
where: short stacking energy: -363.859
Base-Backbone interact. energy: -3.167
local terms energy: -353.948829
where:
bonds (distance) C4'-P energy: -69.611
bonds (distance) P-C4' energy: -59.815
flat angles C4'-P-C4' energy: -76.628
flat angles P-C4'-P energy: -52.739
tors. eta vs tors. theta energy: -95.156
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: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1136.315001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.315001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.315001 (E_RNA)
where:
Base-Base interactions energy: -789.716
where: short stacking energy: -341.092
Base-Backbone interact. energy: -2.791
local terms energy: -343.808228
where:
bonds (distance) C4'-P energy: -48.992
bonds (distance) P-C4' energy: -70.542
flat angles C4'-P-C4' energy: -68.830
flat angles P-C4'-P energy: -57.809
tors. eta vs tors. theta energy: -97.636
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: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1020.873918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.873918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.873918 (E_RNA)
where:
Base-Base interactions energy: -700.765
where: short stacking energy: -295.586
Base-Backbone interact. energy: -0.653
local terms energy: -319.455660
where:
bonds (distance) C4'-P energy: -71.258
bonds (distance) P-C4' energy: -67.322
flat angles C4'-P-C4' energy: -74.556
flat angles P-C4'-P energy: -40.657
tors. eta vs tors. theta energy: -65.663
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: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -915.211206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.211206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.211206 (E_RNA)
where:
Base-Base interactions energy: -628.550
where: short stacking energy: -254.513
Base-Backbone interact. energy: -1.514
local terms energy: -285.147510
where:
bonds (distance) C4'-P energy: -65.175
bonds (distance) P-C4' energy: -61.075
flat angles C4'-P-C4' energy: -53.811
flat angles P-C4'-P energy: -51.831
tors. eta vs tors. theta energy: -53.256
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: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -850.786189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.786189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.786189 (E_RNA)
where:
Base-Base interactions energy: -566.562
where: short stacking energy: -229.879
Base-Backbone interact. energy: -0.515
local terms energy: -283.709119
where:
bonds (distance) C4'-P energy: -65.196
bonds (distance) P-C4' energy: -61.437
flat angles C4'-P-C4' energy: -66.946
flat angles P-C4'-P energy: -48.198
tors. eta vs tors. theta energy: -41.932
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: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -592.076880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.076880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.076880 (E_RNA)
where:
Base-Base interactions energy: -369.300
where: short stacking energy: -170.040
Base-Backbone interact. energy: -0.958
local terms energy: -221.819535
where:
bonds (distance) C4'-P energy: -58.654
bonds (distance) P-C4' energy: -52.593
flat angles C4'-P-C4' energy: -50.393
flat angles P-C4'-P energy: -36.537
tors. eta vs tors. theta energy: -23.643
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: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1454.045627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.045627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.045627 (E_RNA)
where:
Base-Base interactions energy: -1045.242
where: short stacking energy: -434.662
Base-Backbone interact. energy: 3.374
local terms energy: -412.178259
where:
bonds (distance) C4'-P energy: -67.200
bonds (distance) P-C4' energy: -81.053
flat angles C4'-P-C4' energy: -85.582
flat angles P-C4'-P energy: -53.541
tors. eta vs tors. theta energy: -124.803
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: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1362.556138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.556138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.556138 (E_RNA)
where:
Base-Base interactions energy: -953.469
where: short stacking energy: -391.398
Base-Backbone interact. energy: -3.684
local terms energy: -405.403070
where:
bonds (distance) C4'-P energy: -81.575
bonds (distance) P-C4' energy: -70.801
flat angles C4'-P-C4' energy: -80.256
flat angles P-C4'-P energy: -57.415
tors. eta vs tors. theta energy: -115.356
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: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1296.183364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.183364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.183364 (E_RNA)
where:
Base-Base interactions energy: -904.494
where: short stacking energy: -372.144
Base-Backbone interact. energy: 1.371
local terms energy: -393.060882
where:
bonds (distance) C4'-P energy: -71.152
bonds (distance) P-C4' energy: -68.498
flat angles C4'-P-C4' energy: -85.536
flat angles P-C4'-P energy: -55.440
tors. eta vs tors. theta energy: -112.435
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: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1271.274249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.274249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.274249 (E_RNA)
where:
Base-Base interactions energy: -894.486
where: short stacking energy: -359.703
Base-Backbone interact. energy: -2.583
local terms energy: -374.205666
where:
bonds (distance) C4'-P energy: -67.497
bonds (distance) P-C4' energy: -78.667
flat angles C4'-P-C4' energy: -78.217
flat angles P-C4'-P energy: -51.859
tors. eta vs tors. theta energy: -97.966
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: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1229.001159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.001159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.001159 (E_RNA)
where:
Base-Base interactions energy: -849.212
where: short stacking energy: -383.419
Base-Backbone interact. energy: -1.972
local terms energy: -377.817244
where:
bonds (distance) C4'-P energy: -68.484
bonds (distance) P-C4' energy: -61.357
flat angles C4'-P-C4' energy: -76.240
flat angles P-C4'-P energy: -57.263
tors. eta vs tors. theta energy: -114.474
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: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1140.236865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.236865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.236865 (E_RNA)
where:
Base-Base interactions energy: -809.771
where: short stacking energy: -343.954
Base-Backbone interact. energy: 0.515
local terms energy: -330.981688
where:
bonds (distance) C4'-P energy: -66.671
bonds (distance) P-C4' energy: -60.510
flat angles C4'-P-C4' energy: -71.754
flat angles P-C4'-P energy: -43.983
tors. eta vs tors. theta energy: -88.063
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: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1019.238313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.238313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.238313 (E_RNA)
where:
Base-Base interactions energy: -699.011
where: short stacking energy: -306.462
Base-Backbone interact. energy: -2.353
local terms energy: -317.873961
where:
bonds (distance) C4'-P energy: -54.811
bonds (distance) P-C4' energy: -72.241
flat angles C4'-P-C4' energy: -82.567
flat angles P-C4'-P energy: -26.826
tors. eta vs tors. theta energy: -81.430
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: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -873.572802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.572802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.572802 (E_RNA)
where:
Base-Base interactions energy: -615.763
where: short stacking energy: -234.759
Base-Backbone interact. energy: -1.877
local terms energy: -255.933388
where:
bonds (distance) C4'-P energy: -57.192
bonds (distance) P-C4' energy: -53.386
flat angles C4'-P-C4' energy: -67.655
flat angles P-C4'-P energy: -33.857
tors. eta vs tors. theta energy: -43.843
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: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -807.086808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.086808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.086808 (E_RNA)
where:
Base-Base interactions energy: -535.087
where: short stacking energy: -219.593
Base-Backbone interact. energy: 1.226
local terms energy: -273.225604
where:
bonds (distance) C4'-P energy: -68.228
bonds (distance) P-C4' energy: -60.206
flat angles C4'-P-C4' energy: -52.516
flat angles P-C4'-P energy: -39.814
tors. eta vs tors. theta energy: -52.462
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: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -617.332912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.332912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.332912 (E_RNA)
where:
Base-Base interactions energy: -372.699
where: short stacking energy: -161.428
Base-Backbone interact. energy: 2.857
local terms energy: -247.491360
where:
bonds (distance) C4'-P energy: -57.854
bonds (distance) P-C4' energy: -55.307
flat angles C4'-P-C4' energy: -68.593
flat angles P-C4'-P energy: -42.511
tors. eta vs tors. theta energy: -23.225
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: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1463.420016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.420016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.420016 (E_RNA)
where:
Base-Base interactions energy: -1042.795
where: short stacking energy: -422.189
Base-Backbone interact. energy: -1.106
local terms energy: -419.519434
where:
bonds (distance) C4'-P energy: -74.810
bonds (distance) P-C4' energy: -70.365
flat angles C4'-P-C4' energy: -88.452
flat angles P-C4'-P energy: -64.831
tors. eta vs tors. theta energy: -121.062
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: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1346.502274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.502274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.502274 (E_RNA)
where:
Base-Base interactions energy: -932.103
where: short stacking energy: -381.691
Base-Backbone interact. energy: 0.605
local terms energy: -415.003801
where:
bonds (distance) C4'-P energy: -80.661
bonds (distance) P-C4' energy: -83.950
flat angles C4'-P-C4' energy: -87.479
flat angles P-C4'-P energy: -53.215
tors. eta vs tors. theta energy: -109.700
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: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1309.792141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.792141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.792141 (E_RNA)
where:
Base-Base interactions energy: -925.341
where: short stacking energy: -381.487
Base-Backbone interact. energy: -1.569
local terms energy: -382.881873
where:
bonds (distance) C4'-P energy: -75.185
bonds (distance) P-C4' energy: -72.501
flat angles C4'-P-C4' energy: -76.770
flat angles P-C4'-P energy: -54.745
tors. eta vs tors. theta energy: -103.681
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: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1255.137450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.137450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.137450 (E_RNA)
where:
Base-Base interactions energy: -884.974
where: short stacking energy: -362.793
Base-Backbone interact. energy: 2.319
local terms energy: -372.482302
where:
bonds (distance) C4'-P energy: -79.274
bonds (distance) P-C4' energy: -74.154
flat angles C4'-P-C4' energy: -71.443
flat angles P-C4'-P energy: -49.652
tors. eta vs tors. theta energy: -97.960
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: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1217.459909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.459909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.459909 (E_RNA)
where:
Base-Base interactions energy: -865.958
where: short stacking energy: -379.388
Base-Backbone interact. energy: -2.629
local terms energy: -348.873025
where:
bonds (distance) C4'-P energy: -65.004
bonds (distance) P-C4' energy: -54.231
flat angles C4'-P-C4' energy: -68.251
flat angles P-C4'-P energy: -51.601
tors. eta vs tors. theta energy: -109.786
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: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1111.127639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.127639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.127639 (E_RNA)
where:
Base-Base interactions energy: -767.063
where: short stacking energy: -332.757
Base-Backbone interact. energy: 2.503
local terms energy: -346.567914
where:
bonds (distance) C4'-P energy: -56.807
bonds (distance) P-C4' energy: -82.152
flat angles C4'-P-C4' energy: -73.548
flat angles P-C4'-P energy: -45.251
tors. eta vs tors. theta energy: -88.810
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: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1021.302108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.302108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.302108 (E_RNA)
where:
Base-Base interactions energy: -718.946
where: short stacking energy: -328.553
Base-Backbone interact. energy: 2.047
local terms energy: -304.403435
where:
bonds (distance) C4'-P energy: -54.546
bonds (distance) P-C4' energy: -56.621
flat angles C4'-P-C4' energy: -67.833
flat angles P-C4'-P energy: -47.482
tors. eta vs tors. theta energy: -77.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -932.254106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.254106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.254106 (E_RNA)
where:
Base-Base interactions energy: -654.525
where: short stacking energy: -272.647
Base-Backbone interact. energy: 1.048
local terms energy: -278.776975
where:
bonds (distance) C4'-P energy: -51.037
bonds (distance) P-C4' energy: -58.184
flat angles C4'-P-C4' energy: -54.726
flat angles P-C4'-P energy: -49.723
tors. eta vs tors. theta energy: -65.107
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: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -737.602726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.602726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.602726 (E_RNA)
where:
Base-Base interactions energy: -479.798
where: short stacking energy: -217.449
Base-Backbone interact. energy: 1.853
local terms energy: -259.657086
where:
bonds (distance) C4'-P energy: -64.459
bonds (distance) P-C4' energy: -61.174
flat angles C4'-P-C4' energy: -57.624
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -51.268
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: 194
Temperature: 1.350000
Total energy: -624.649936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.649936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.649936 (E_RNA)
where:
Base-Base interactions energy: -382.217
where: short stacking energy: -163.300
Base-Backbone interact. energy: -1.906
local terms energy: -240.527005
where:
bonds (distance) C4'-P energy: -48.977
bonds (distance) P-C4' energy: -62.792
flat angles C4'-P-C4' energy: -70.679
flat angles P-C4'-P energy: -32.888
tors. eta vs tors. theta energy: -25.192
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: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1475.003392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.003392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.003392 (E_RNA)
where:
Base-Base interactions energy: -1052.770
where: short stacking energy: -433.553
Base-Backbone interact. energy: 0.724
local terms energy: -422.958038
where:
bonds (distance) C4'-P energy: -80.650
bonds (distance) P-C4' energy: -65.906
flat angles C4'-P-C4' energy: -89.215
flat angles P-C4'-P energy: -64.914
tors. eta vs tors. theta energy: -122.273
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: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1365.902634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.902634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.902634 (E_RNA)
where:
Base-Base interactions energy: -976.291
where: short stacking energy: -386.390
Base-Backbone interact. energy: 2.686
local terms energy: -392.298306
where:
bonds (distance) C4'-P energy: -61.711
bonds (distance) P-C4' energy: -68.371
flat angles C4'-P-C4' energy: -83.845
flat angles P-C4'-P energy: -67.427
tors. eta vs tors. theta energy: -110.945
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: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1303.040179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.040179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.040179 (E_RNA)
where:
Base-Base interactions energy: -922.606
where: short stacking energy: -385.711
Base-Backbone interact. energy: 0.213
local terms energy: -380.647455
where:
bonds (distance) C4'-P energy: -61.118
bonds (distance) P-C4' energy: -67.233
flat angles C4'-P-C4' energy: -88.634
flat angles P-C4'-P energy: -55.103
tors. eta vs tors. theta energy: -108.559
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: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1279.295008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.295008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.295008 (E_RNA)
where:
Base-Base interactions energy: -910.981
where: short stacking energy: -376.878
Base-Backbone interact. energy: -5.398
local terms energy: -362.916138
where:
bonds (distance) C4'-P energy: -67.217
bonds (distance) P-C4' energy: -65.426
flat angles C4'-P-C4' energy: -76.970
flat angles P-C4'-P energy: -51.745
tors. eta vs tors. theta energy: -101.557
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: 195
Temperature: 1.100000
Total energy: -1200.577977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.577977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.577977 (E_RNA)
where:
Base-Base interactions energy: -855.188
where: short stacking energy: -371.891
Base-Backbone interact. energy: -2.029
local terms energy: -343.361230
where:
bonds (distance) C4'-P energy: -60.961
bonds (distance) P-C4' energy: -61.244
flat angles C4'-P-C4' energy: -76.872
flat angles P-C4'-P energy: -44.248
tors. eta vs tors. theta energy: -100.036
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: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1122.492374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.492374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.492374 (E_RNA)
where:
Base-Base interactions energy: -782.828
where: short stacking energy: -354.952
Base-Backbone interact. energy: -0.097
local terms energy: -339.567337
where:
bonds (distance) C4'-P energy: -48.821
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -74.634
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -102.969
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: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1008.495611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.495611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.495611 (E_RNA)
where:
Base-Base interactions energy: -690.489
where: short stacking energy: -289.617
Base-Backbone interact. energy: -0.994
local terms energy: -317.013035
where:
bonds (distance) C4'-P energy: -55.438
bonds (distance) P-C4' energy: -64.134
flat angles C4'-P-C4' energy: -71.902
flat angles P-C4'-P energy: -54.156
tors. eta vs tors. theta energy: -71.383
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: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -944.342418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.342418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.342418 (E_RNA)
where:
Base-Base interactions energy: -647.779
where: short stacking energy: -271.239
Base-Backbone interact. energy: 1.377
local terms energy: -297.940192
where:
bonds (distance) C4'-P energy: -61.167
bonds (distance) P-C4' energy: -57.057
flat angles C4'-P-C4' energy: -72.667
flat angles P-C4'-P energy: -45.597
tors. eta vs tors. theta energy: -61.452
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: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -764.964907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.964907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.964907 (E_RNA)
where:
Base-Base interactions energy: -525.150
where: short stacking energy: -221.877
Base-Backbone interact. energy: 3.221
local terms energy: -243.036120
where:
bonds (distance) C4'-P energy: -64.894
bonds (distance) P-C4' energy: -58.873
flat angles C4'-P-C4' energy: -56.737
flat angles P-C4'-P energy: -32.791
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: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -601.636427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.636427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.636427 (E_RNA)
where:
Base-Base interactions energy: -388.505
where: short stacking energy: -173.567
Base-Backbone interact. energy: -0.163
local terms energy: -212.967789
where:
bonds (distance) C4'-P energy: -58.832
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -41.672
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -24.755
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: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1466.326635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.326635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.326635 (E_RNA)
where:
Base-Base interactions energy: -1046.746
where: short stacking energy: -424.274
Base-Backbone interact. energy: -1.334
local terms energy: -418.247037
where:
bonds (distance) C4'-P energy: -74.829
bonds (distance) P-C4' energy: -72.190
flat angles C4'-P-C4' energy: -89.027
flat angles P-C4'-P energy: -61.192
tors. eta vs tors. theta energy: -121.009
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: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1366.821642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.821642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.821642 (E_RNA)
where:
Base-Base interactions energy: -966.226
where: short stacking energy: -396.083
Base-Backbone interact. energy: -2.588
local terms energy: -398.007604
where:
bonds (distance) C4'-P energy: -64.572
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -86.240
flat angles P-C4'-P energy: -62.495
tors. eta vs tors. theta energy: -112.518
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: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1286.005323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.005323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.005323 (E_RNA)
where:
Base-Base interactions energy: -906.596
where: short stacking energy: -379.426
Base-Backbone interact. energy: -2.912
local terms energy: -376.496432
where:
bonds (distance) C4'-P energy: -70.031
bonds (distance) P-C4' energy: -72.790
flat angles C4'-P-C4' energy: -77.048
flat angles P-C4'-P energy: -55.986
tors. eta vs tors. theta energy: -100.641
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: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1293.153362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.153362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.153362 (E_RNA)
where:
Base-Base interactions energy: -913.224
where: short stacking energy: -392.178
Base-Backbone interact. energy: -2.212
local terms energy: -377.717548
where:
bonds (distance) C4'-P energy: -71.529
bonds (distance) P-C4' energy: -61.309
flat angles C4'-P-C4' energy: -86.818
flat angles P-C4'-P energy: -54.153
tors. eta vs tors. theta energy: -103.908
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: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1221.685155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.685155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.685155 (E_RNA)
where:
Base-Base interactions energy: -853.806
where: short stacking energy: -349.665
Base-Backbone interact. energy: -3.305
local terms energy: -364.573745
where:
bonds (distance) C4'-P energy: -69.446
bonds (distance) P-C4' energy: -63.110
flat angles C4'-P-C4' energy: -76.263
flat angles P-C4'-P energy: -42.973
tors. eta vs tors. theta energy: -112.783
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: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1123.265534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.265534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.265534 (E_RNA)
where:
Base-Base interactions energy: -787.276
where: short stacking energy: -343.528
Base-Backbone interact. energy: 2.160
local terms energy: -338.149568
where:
bonds (distance) C4'-P energy: -57.688
bonds (distance) P-C4' energy: -68.124
flat angles C4'-P-C4' energy: -77.204
flat angles P-C4'-P energy: -36.878
tors. eta vs tors. theta energy: -98.255
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: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1018.256862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.256862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.256862 (E_RNA)
where:
Base-Base interactions energy: -685.864
where: short stacking energy: -287.155
Base-Backbone interact. energy: -1.148
local terms energy: -331.244866
where:
bonds (distance) C4'-P energy: -66.906
bonds (distance) P-C4' energy: -79.426
flat angles C4'-P-C4' energy: -70.170
flat angles P-C4'-P energy: -48.799
tors. eta vs tors. theta energy: -65.945
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: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -952.144992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.144992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.144992 (E_RNA)
where:
Base-Base interactions energy: -670.147
where: short stacking energy: -295.094
Base-Backbone interact. energy: 4.626
local terms energy: -286.624677
where:
bonds (distance) C4'-P energy: -41.229
bonds (distance) P-C4' energy: -56.333
flat angles C4'-P-C4' energy: -64.003
flat angles P-C4'-P energy: -48.331
tors. eta vs tors. theta energy: -76.728
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: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -769.647513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.647513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.647513 (E_RNA)
where:
Base-Base interactions energy: -493.092
where: short stacking energy: -206.943
Base-Backbone interact. energy: 0.179
local terms energy: -276.734659
where:
bonds (distance) C4'-P energy: -60.056
bonds (distance) P-C4' energy: -62.547
flat angles C4'-P-C4' energy: -62.210
flat angles P-C4'-P energy: -46.886
tors. eta vs tors. theta energy: -45.036
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: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -626.416495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.416495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.416495 (E_RNA)
where:
Base-Base interactions energy: -395.578
where: short stacking energy: -198.903
Base-Backbone interact. energy: -1.610
local terms energy: -229.228657
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -69.896
flat angles C4'-P-C4' energy: -53.714
flat angles P-C4'-P energy: -29.619
tors. eta vs tors. theta energy: -24.475
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: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1453.611590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.611590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.611590 (E_RNA)
where:
Base-Base interactions energy: -1029.101
where: short stacking energy: -425.854
Base-Backbone interact. energy: -0.070
local terms energy: -424.440106
where:
bonds (distance) C4'-P energy: -81.763
bonds (distance) P-C4' energy: -73.781
flat angles C4'-P-C4' energy: -87.356
flat angles P-C4'-P energy: -60.731
tors. eta vs tors. theta energy: -120.809
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: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1382.977689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.977689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.977689 (E_RNA)
where:
Base-Base interactions energy: -986.778
where: short stacking energy: -412.592
Base-Backbone interact. energy: -1.649
local terms energy: -394.550562
where:
bonds (distance) C4'-P energy: -71.419
bonds (distance) P-C4' energy: -69.175
flat angles C4'-P-C4' energy: -81.753
flat angles P-C4'-P energy: -58.760
tors. eta vs tors. theta energy: -113.443
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: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1281.624205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.624205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.624205 (E_RNA)
where:
Base-Base interactions energy: -927.899
where: short stacking energy: -378.985
Base-Backbone interact. energy: -0.541
local terms energy: -353.183950
where:
bonds (distance) C4'-P energy: -63.818
bonds (distance) P-C4' energy: -74.072
flat angles C4'-P-C4' energy: -75.953
flat angles P-C4'-P energy: -45.619
tors. eta vs tors. theta energy: -93.722
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: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1271.456836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.456836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.456836 (E_RNA)
where:
Base-Base interactions energy: -896.607
where: short stacking energy: -362.710
Base-Backbone interact. energy: -1.652
local terms energy: -373.197478
where:
bonds (distance) C4'-P energy: -71.592
bonds (distance) P-C4' energy: -76.724
flat angles C4'-P-C4' energy: -76.273
flat angles P-C4'-P energy: -42.532
tors. eta vs tors. theta energy: -106.077
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: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1228.351203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.351203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.351203 (E_RNA)
where:
Base-Base interactions energy: -876.341
where: short stacking energy: -383.280
Base-Backbone interact. energy: -3.468
local terms energy: -348.542527
where:
bonds (distance) C4'-P energy: -57.199
bonds (distance) P-C4' energy: -67.534
flat angles C4'-P-C4' energy: -78.755
flat angles P-C4'-P energy: -40.976
tors. eta vs tors. theta energy: -104.080
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: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1132.061909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.061909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.061909 (E_RNA)
where:
Base-Base interactions energy: -790.310
where: short stacking energy: -348.655
Base-Backbone interact. energy: -0.485
local terms energy: -341.266870
where:
bonds (distance) C4'-P energy: -63.202
bonds (distance) P-C4' energy: -70.712
flat angles C4'-P-C4' energy: -75.770
flat angles P-C4'-P energy: -42.440
tors. eta vs tors. theta energy: -89.144
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: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1039.248664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.248664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.248664 (E_RNA)
where:
Base-Base interactions energy: -725.446
where: short stacking energy: -319.396
Base-Backbone interact. energy: -1.818
local terms energy: -311.985049
where:
bonds (distance) C4'-P energy: -42.417
bonds (distance) P-C4' energy: -59.776
flat angles C4'-P-C4' energy: -66.890
flat angles P-C4'-P energy: -55.561
tors. eta vs tors. theta energy: -87.341
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: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -928.091360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.091360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.091360 (E_RNA)
where:
Base-Base interactions energy: -642.845
where: short stacking energy: -260.620
Base-Backbone interact. energy: 0.887
local terms energy: -286.133482
where:
bonds (distance) C4'-P energy: -46.608
bonds (distance) P-C4' energy: -64.665
flat angles C4'-P-C4' energy: -69.295
flat angles P-C4'-P energy: -41.358
tors. eta vs tors. theta energy: -64.208
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: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -769.391764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.391764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.391764 (E_RNA)
where:
Base-Base interactions energy: -527.516
where: short stacking energy: -212.575
Base-Backbone interact. energy: 0.437
local terms energy: -242.312503
where:
bonds (distance) C4'-P energy: -53.487
bonds (distance) P-C4' energy: -60.800
flat angles C4'-P-C4' energy: -52.940
flat angles P-C4'-P energy: -37.553
tors. eta vs tors. theta energy: -37.533
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: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -639.808569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.808569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.808569 (E_RNA)
where:
Base-Base interactions energy: -392.570
where: short stacking energy: -167.985
Base-Backbone interact. energy: -1.195
local terms energy: -246.043680
where:
bonds (distance) C4'-P energy: -53.257
bonds (distance) P-C4' energy: -63.801
flat angles C4'-P-C4' energy: -64.443
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1466.201936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.201936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.201936 (E_RNA)
where:
Base-Base interactions energy: -1047.724
where: short stacking energy: -432.522
Base-Backbone interact. energy: -1.229
local terms energy: -417.248621
where:
bonds (distance) C4'-P energy: -72.636
bonds (distance) P-C4' energy: -74.955
flat angles C4'-P-C4' energy: -94.226
flat angles P-C4'-P energy: -59.168
tors. eta vs tors. theta energy: -116.263
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: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1357.234303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.234303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.234303 (E_RNA)
where:
Base-Base interactions energy: -954.101
where: short stacking energy: -388.727
Base-Backbone interact. energy: -1.997
local terms energy: -401.135603
where:
bonds (distance) C4'-P energy: -66.618
bonds (distance) P-C4' energy: -72.313
flat angles C4'-P-C4' energy: -90.669
flat angles P-C4'-P energy: -62.343
tors. eta vs tors. theta energy: -109.192
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: 198
Temperature: 1.000000
Total energy: -1295.319667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.319667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.319667 (E_RNA)
where:
Base-Base interactions energy: -902.934
where: short stacking energy: -378.983
Base-Backbone interact. energy: -0.868
local terms energy: -391.517849
where:
bonds (distance) C4'-P energy: -56.691
bonds (distance) P-C4' energy: -81.662
flat angles C4'-P-C4' energy: -85.433
flat angles P-C4'-P energy: -60.784
tors. eta vs tors. theta energy: -106.947
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: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1235.838313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.838313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.838313 (E_RNA)
where:
Base-Base interactions energy: -880.465
where: short stacking energy: -367.319
Base-Backbone interact. energy: -0.139
local terms energy: -355.234460
where:
bonds (distance) C4'-P energy: -69.338
bonds (distance) P-C4' energy: -67.642
flat angles C4'-P-C4' energy: -73.871
flat angles P-C4'-P energy: -49.374
tors. eta vs tors. theta energy: -95.011
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: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1217.413269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.413269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.413269 (E_RNA)
where:
Base-Base interactions energy: -851.648
where: short stacking energy: -374.527
Base-Backbone interact. energy: -1.385
local terms energy: -364.380932
where:
bonds (distance) C4'-P energy: -69.757
bonds (distance) P-C4' energy: -72.784
flat angles C4'-P-C4' energy: -69.479
flat angles P-C4'-P energy: -46.808
tors. eta vs tors. theta energy: -105.553
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: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1120.223347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.223347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.223347 (E_RNA)
where:
Base-Base interactions energy: -773.349
where: short stacking energy: -336.139
Base-Backbone interact. energy: -1.228
local terms energy: -345.646489
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -67.937
flat angles C4'-P-C4' energy: -75.570
flat angles P-C4'-P energy: -44.766
tors. eta vs tors. theta energy: -87.874
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: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1035.545141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.545141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.545141 (E_RNA)
where:
Base-Base interactions energy: -713.831
where: short stacking energy: -307.139
Base-Backbone interact. energy: -0.335
local terms energy: -321.379217
where:
bonds (distance) C4'-P energy: -58.798
bonds (distance) P-C4' energy: -68.764
flat angles C4'-P-C4' energy: -77.988
flat angles P-C4'-P energy: -40.884
tors. eta vs tors. theta energy: -74.945
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: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -840.746928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.746928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.746928 (E_RNA)
where:
Base-Base interactions energy: -578.254
where: short stacking energy: -236.012
Base-Backbone interact. energy: -0.480
local terms energy: -262.012686
where:
bonds (distance) C4'-P energy: -59.745
bonds (distance) P-C4' energy: -60.581
flat angles C4'-P-C4' energy: -53.600
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -46.587
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: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -803.371934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.371934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.371934 (E_RNA)
where:
Base-Base interactions energy: -530.553
where: short stacking energy: -231.716
Base-Backbone interact. energy: -0.465
local terms energy: -272.354412
where:
bonds (distance) C4'-P energy: -53.960
bonds (distance) P-C4' energy: -60.155
flat angles C4'-P-C4' energy: -61.819
flat angles P-C4'-P energy: -48.586
tors. eta vs tors. theta energy: -47.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -660.733633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.733633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.733633 (E_RNA)
where:
Base-Base interactions energy: -420.467
where: short stacking energy: -205.022
Base-Backbone interact. energy: 0.534
local terms energy: -240.800514
where:
bonds (distance) C4'-P energy: -54.492
bonds (distance) P-C4' energy: -46.900
flat angles C4'-P-C4' energy: -62.483
flat angles P-C4'-P energy: -39.806
tors. eta vs tors. theta energy: -37.119
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: 199
Temperature: 0.900000
Total energy: -1477.077960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.077960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.077960 (E_RNA)
where:
Base-Base interactions energy: -1070.215
where: short stacking energy: -438.941
Base-Backbone interact. energy: -0.478
local terms energy: -406.384414
where:
bonds (distance) C4'-P energy: -79.339
bonds (distance) P-C4' energy: -78.108
flat angles C4'-P-C4' energy: -81.778
flat angles P-C4'-P energy: -45.605
tors. eta vs tors. theta energy: -121.555
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: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1353.535621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.535621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.535621 (E_RNA)
where:
Base-Base interactions energy: -944.412
where: short stacking energy: -397.438
Base-Backbone interact. energy: -1.031
local terms energy: -408.092432
where:
bonds (distance) C4'-P energy: -82.351
bonds (distance) P-C4' energy: -77.758
flat angles C4'-P-C4' energy: -78.605
flat angles P-C4'-P energy: -53.867
tors. eta vs tors. theta energy: -115.510
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: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1297.383729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.383729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.383729 (E_RNA)
where:
Base-Base interactions energy: -909.095
where: short stacking energy: -384.842
Base-Backbone interact. energy: -1.392
local terms energy: -386.896140
where:
bonds (distance) C4'-P energy: -70.823
bonds (distance) P-C4' energy: -66.708
flat angles C4'-P-C4' energy: -85.751
flat angles P-C4'-P energy: -58.806
tors. eta vs tors. theta energy: -104.808
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: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1238.782906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.782906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.782906 (E_RNA)
where:
Base-Base interactions energy: -865.988
where: short stacking energy: -358.584
Base-Backbone interact. energy: -0.965
local terms energy: -371.829502
where:
bonds (distance) C4'-P energy: -67.628
bonds (distance) P-C4' energy: -75.017
flat angles C4'-P-C4' energy: -78.261
flat angles P-C4'-P energy: -53.691
tors. eta vs tors. theta energy: -97.234
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: 199
Temperature: 1.100000
Total energy: -1226.634313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.634313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.634313 (E_RNA)
where:
Base-Base interactions energy: -847.715
where: short stacking energy: -379.377
Base-Backbone interact. energy: -1.168
local terms energy: -377.751385
where:
bonds (distance) C4'-P energy: -69.162
bonds (distance) P-C4' energy: -69.472
flat angles C4'-P-C4' energy: -78.709
flat angles P-C4'-P energy: -46.711
tors. eta vs tors. theta energy: -113.697
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: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1124.808860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.808860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.808860 (E_RNA)
where:
Base-Base interactions energy: -791.461
where: short stacking energy: -342.124
Base-Backbone interact. energy: -0.452
local terms energy: -332.895897
where:
bonds (distance) C4'-P energy: -58.807
bonds (distance) P-C4' energy: -69.109
flat angles C4'-P-C4' energy: -74.963
flat angles P-C4'-P energy: -42.203
tors. eta vs tors. theta energy: -87.813
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: 199
Temperature: 1.200000
Total energy: -999.179097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.179097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.179097 (E_RNA)
where:
Base-Base interactions energy: -672.254
where: short stacking energy: -280.178
Base-Backbone interact. energy: -0.948
local terms energy: -325.976571
where:
bonds (distance) C4'-P energy: -68.832
bonds (distance) P-C4' energy: -69.866
flat angles C4'-P-C4' energy: -71.189
flat angles P-C4'-P energy: -47.105
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: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -871.649579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.649579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.649579 (E_RNA)
where:
Base-Base interactions energy: -589.547
where: short stacking energy: -261.190
Base-Backbone interact. energy: -1.303
local terms energy: -280.799540
where:
bonds (distance) C4'-P energy: -65.682
bonds (distance) P-C4' energy: -57.994
flat angles C4'-P-C4' energy: -65.435
flat angles P-C4'-P energy: -37.767
tors. eta vs tors. theta energy: -53.922
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: 199
Temperature: 1.300000
Total energy: -776.962896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.962896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.962896 (E_RNA)
where:
Base-Base interactions energy: -539.768
where: short stacking energy: -232.037
Base-Backbone interact. energy: -2.185
local terms energy: -235.010252
where:
bonds (distance) C4'-P energy: -51.707
bonds (distance) P-C4' energy: -41.758
flat angles C4'-P-C4' energy: -55.465
flat angles P-C4'-P energy: -39.848
tors. eta vs tors. theta energy: -46.231
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: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -655.299249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.299249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.299249 (E_RNA)
where:
Base-Base interactions energy: -434.876
where: short stacking energy: -183.565
Base-Backbone interact. energy: 2.316
local terms energy: -222.738816
where:
bonds (distance) C4'-P energy: -54.737
bonds (distance) P-C4' energy: -59.654
flat angles C4'-P-C4' energy: -50.855
flat angles P-C4'-P energy: -37.902
tors. eta vs tors. theta energy: -19.590
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: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1474.700561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.700561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.700561 (E_RNA)
where:
Base-Base interactions energy: -1060.051
where: short stacking energy: -428.277
Base-Backbone interact. energy: -0.522
local terms energy: -414.128183
where:
bonds (distance) C4'-P energy: -77.842
bonds (distance) P-C4' energy: -71.255
flat angles C4'-P-C4' energy: -76.191
flat angles P-C4'-P energy: -61.046
tors. eta vs tors. theta energy: -127.793
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: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1350.333616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.333616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.333616 (E_RNA)
where:
Base-Base interactions energy: -951.009
where: short stacking energy: -391.556
Base-Backbone interact. energy: -1.909
local terms energy: -397.415053
where:
bonds (distance) C4'-P energy: -72.289
bonds (distance) P-C4' energy: -78.434
flat angles C4'-P-C4' energy: -87.855
flat angles P-C4'-P energy: -55.076
tors. eta vs tors. theta energy: -103.761
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: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1301.749478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.749478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.749478 (E_RNA)
where:
Base-Base interactions energy: -925.493
where: short stacking energy: -390.711
Base-Backbone interact. energy: 0.006
local terms energy: -376.262424
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -73.908
flat angles C4'-P-C4' energy: -83.912
flat angles P-C4'-P energy: -48.320
tors. eta vs tors. theta energy: -106.199
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: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1245.846602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.846602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.846602 (E_RNA)
where:
Base-Base interactions energy: -870.654
where: short stacking energy: -373.439
Base-Backbone interact. energy: -3.594
local terms energy: -371.599366
where:
bonds (distance) C4'-P energy: -64.176
bonds (distance) P-C4' energy: -67.511
flat angles C4'-P-C4' energy: -83.074
flat angles P-C4'-P energy: -57.040
tors. eta vs tors. theta energy: -99.799
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: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1171.359221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.359221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.359221 (E_RNA)
where:
Base-Base interactions energy: -803.011
where: short stacking energy: -350.294
Base-Backbone interact. energy: -1.089
local terms energy: -367.259027
where:
bonds (distance) C4'-P energy: -67.736
bonds (distance) P-C4' energy: -69.981
flat angles C4'-P-C4' energy: -83.563
flat angles P-C4'-P energy: -46.040
tors. eta vs tors. theta energy: -99.940
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: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1112.788703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.788703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.788703 (E_RNA)
where:
Base-Base interactions energy: -772.689
where: short stacking energy: -326.534
Base-Backbone interact. energy: -1.461
local terms energy: -338.638390
where:
bonds (distance) C4'-P energy: -46.282
bonds (distance) P-C4' energy: -73.831
flat angles C4'-P-C4' energy: -80.129
flat angles P-C4'-P energy: -48.785
tors. eta vs tors. theta energy: -89.612
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: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1045.173336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.173336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.173336 (E_RNA)
where:
Base-Base interactions energy: -723.477
where: short stacking energy: -309.498
Base-Backbone interact. energy: 2.269
local terms energy: -323.965046
where:
bonds (distance) C4'-P energy: -71.371
bonds (distance) P-C4' energy: -62.419
flat angles C4'-P-C4' energy: -72.596
flat angles P-C4'-P energy: -51.115
tors. eta vs tors. theta energy: -66.464
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: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -885.234718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.234718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.234718 (E_RNA)
where:
Base-Base interactions energy: -591.549
where: short stacking energy: -251.762
Base-Backbone interact. energy: 4.159
local terms energy: -297.844362
where:
bonds (distance) C4'-P energy: -55.467
bonds (distance) P-C4' energy: -66.047
flat angles C4'-P-C4' energy: -68.769
flat angles P-C4'-P energy: -41.847
tors. eta vs tors. theta energy: -65.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -718.392631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.392631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.392631 (E_RNA)
where:
Base-Base interactions energy: -484.025
where: short stacking energy: -210.800
Base-Backbone interact. energy: 0.147
local terms energy: -234.514992
where:
bonds (distance) C4'-P energy: -46.240
bonds (distance) P-C4' energy: -67.042
flat angles C4'-P-C4' energy: -52.429
flat angles P-C4'-P energy: -28.835
tors. eta vs tors. theta energy: -39.970
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: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -618.641626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.641626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.641626 (E_RNA)
where:
Base-Base interactions energy: -392.196
where: short stacking energy: -176.266
Base-Backbone interact. energy: 1.162
local terms energy: -227.607797
where:
bonds (distance) C4'-P energy: -60.903
bonds (distance) P-C4' energy: -56.531
flat angles C4'-P-C4' energy: -54.786
flat angles P-C4'-P energy: -34.025
tors. eta vs tors. theta energy: -21.363
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: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1491.005275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.005275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.005275 (E_RNA)
where:
Base-Base interactions energy: -1065.423
where: short stacking energy: -438.714
Base-Backbone interact. energy: -1.642
local terms energy: -423.940189
where:
bonds (distance) C4'-P energy: -78.878
bonds (distance) P-C4' energy: -66.079
flat angles C4'-P-C4' energy: -86.750
flat angles P-C4'-P energy: -69.987
tors. eta vs tors. theta energy: -122.246
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: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1323.970789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.970789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.970789 (E_RNA)
where:
Base-Base interactions energy: -926.770
where: short stacking energy: -375.513
Base-Backbone interact. energy: -1.602
local terms energy: -395.599583
where:
bonds (distance) C4'-P energy: -82.071
bonds (distance) P-C4' energy: -67.883
flat angles C4'-P-C4' energy: -89.102
flat angles P-C4'-P energy: -52.826
tors. eta vs tors. theta energy: -103.717
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: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1323.322866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.322866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.322866 (E_RNA)
where:
Base-Base interactions energy: -931.409
where: short stacking energy: -378.874
Base-Backbone interact. energy: -0.515
local terms energy: -391.398666
where:
bonds (distance) C4'-P energy: -71.669
bonds (distance) P-C4' energy: -67.252
flat angles C4'-P-C4' energy: -76.816
flat angles P-C4'-P energy: -63.360
tors. eta vs tors. theta energy: -112.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1229.683166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.683166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.683166 (E_RNA)
where:
Base-Base interactions energy: -848.523
where: short stacking energy: -350.539
Base-Backbone interact. energy: -0.513
local terms energy: -380.647633
where:
bonds (distance) C4'-P energy: -67.480
bonds (distance) P-C4' energy: -79.093
flat angles C4'-P-C4' energy: -76.984
flat angles P-C4'-P energy: -56.863
tors. eta vs tors. theta energy: -100.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1169.217569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.217569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.217569 (E_RNA)
where:
Base-Base interactions energy: -818.415
where: short stacking energy: -338.884
Base-Backbone interact. energy: 1.828
local terms energy: -352.631026
where:
bonds (distance) C4'-P energy: -67.063
bonds (distance) P-C4' energy: -66.386
flat angles C4'-P-C4' energy: -73.410
flat angles P-C4'-P energy: -52.272
tors. eta vs tors. theta energy: -93.499
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: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1117.630266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.630266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.630266 (E_RNA)
where:
Base-Base interactions energy: -763.370
where: short stacking energy: -332.998
Base-Backbone interact. energy: 0.258
local terms energy: -354.518081
where:
bonds (distance) C4'-P energy: -66.141
bonds (distance) P-C4' energy: -76.592
flat angles C4'-P-C4' energy: -69.131
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: -95.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1055.033321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.033321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.033321 (E_RNA)
where:
Base-Base interactions energy: -729.413
where: short stacking energy: -321.989
Base-Backbone interact. energy: -1.610
local terms energy: -324.009974
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -69.725
flat angles C4'-P-C4' energy: -64.747
flat angles P-C4'-P energy: -48.957
tors. eta vs tors. theta energy: -81.257
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: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -891.710435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.710435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.710435 (E_RNA)
where:
Base-Base interactions energy: -606.718
where: short stacking energy: -277.167
Base-Backbone interact. energy: -0.863
local terms energy: -284.129539
where:
bonds (distance) C4'-P energy: -49.273
bonds (distance) P-C4' energy: -67.154
flat angles C4'-P-C4' energy: -69.727
flat angles P-C4'-P energy: -37.270
tors. eta vs tors. theta energy: -60.706
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: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -701.821630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.821630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.821630 (E_RNA)
where:
Base-Base interactions energy: -431.678
where: short stacking energy: -212.595
Base-Backbone interact. energy: -2.614
local terms energy: -267.529766
where:
bonds (distance) C4'-P energy: -54.281
bonds (distance) P-C4' energy: -64.899
flat angles C4'-P-C4' energy: -69.994
flat angles P-C4'-P energy: -47.588
tors. eta vs tors. theta energy: -30.768
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: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -662.180349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.180349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.180349 (E_RNA)
where:
Base-Base interactions energy: -417.510
where: short stacking energy: -192.479
Base-Backbone interact. energy: -2.010
local terms energy: -242.660464
where:
bonds (distance) C4'-P energy: -56.710
bonds (distance) P-C4' energy: -57.489
flat angles C4'-P-C4' energy: -59.463
flat angles P-C4'-P energy: -38.287
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: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1485.425209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.425209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.425209 (E_RNA)
where:
Base-Base interactions energy: -1071.568
where: short stacking energy: -451.334
Base-Backbone interact. energy: -1.709
local terms energy: -412.148270
where:
bonds (distance) C4'-P energy: -69.706
bonds (distance) P-C4' energy: -80.523
flat angles C4'-P-C4' energy: -86.546
flat angles P-C4'-P energy: -49.145
tors. eta vs tors. theta energy: -126.229
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: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1339.483355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.483355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.483355 (E_RNA)
where:
Base-Base interactions energy: -944.168
where: short stacking energy: -385.378
Base-Backbone interact. energy: -2.035
local terms energy: -393.279898
where:
bonds (distance) C4'-P energy: -75.084
bonds (distance) P-C4' energy: -68.018
flat angles C4'-P-C4' energy: -83.544
flat angles P-C4'-P energy: -53.906
tors. eta vs tors. theta energy: -112.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1318.136110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.136110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.136110 (E_RNA)
where:
Base-Base interactions energy: -931.473
where: short stacking energy: -392.524
Base-Backbone interact. energy: -0.724
local terms energy: -385.939436
where:
bonds (distance) C4'-P energy: -63.864
bonds (distance) P-C4' energy: -74.949
flat angles C4'-P-C4' energy: -82.350
flat angles P-C4'-P energy: -54.926
tors. eta vs tors. theta energy: -109.851
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: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1238.693415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.693415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.693415 (E_RNA)
where:
Base-Base interactions energy: -869.799
where: short stacking energy: -359.810
Base-Backbone interact. energy: 0.339
local terms energy: -369.233833
where:
bonds (distance) C4'-P energy: -73.609
bonds (distance) P-C4' energy: -62.362
flat angles C4'-P-C4' energy: -85.370
flat angles P-C4'-P energy: -45.085
tors. eta vs tors. theta energy: -102.807
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: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1169.906096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.906096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.906096 (E_RNA)
where:
Base-Base interactions energy: -800.248
where: short stacking energy: -336.731
Base-Backbone interact. energy: 0.161
local terms energy: -369.818239
where:
bonds (distance) C4'-P energy: -67.741
bonds (distance) P-C4' energy: -71.991
flat angles C4'-P-C4' energy: -76.526
flat angles P-C4'-P energy: -51.230
tors. eta vs tors. theta energy: -102.329
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: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1126.465315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.465315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.465315 (E_RNA)
where:
Base-Base interactions energy: -793.110
where: short stacking energy: -359.555
Base-Backbone interact. energy: 3.184
local terms energy: -336.538612
where:
bonds (distance) C4'-P energy: -60.659
bonds (distance) P-C4' energy: -64.200
flat angles C4'-P-C4' energy: -65.895
flat angles P-C4'-P energy: -50.170
tors. eta vs tors. theta energy: -95.615
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: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1042.506280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.506280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.506280 (E_RNA)
where:
Base-Base interactions energy: -730.450
where: short stacking energy: -317.731
Base-Backbone interact. energy: -1.276
local terms energy: -310.780223
where:
bonds (distance) C4'-P energy: -43.096
bonds (distance) P-C4' energy: -45.949
flat angles C4'-P-C4' energy: -77.631
flat angles P-C4'-P energy: -54.245
tors. eta vs tors. theta energy: -89.859
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: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -928.229932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.229932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.229932 (E_RNA)
where:
Base-Base interactions energy: -635.046
where: short stacking energy: -287.353
Base-Backbone interact. energy: -1.048
local terms energy: -292.136255
where:
bonds (distance) C4'-P energy: -57.847
bonds (distance) P-C4' energy: -59.219
flat angles C4'-P-C4' energy: -64.297
flat angles P-C4'-P energy: -42.616
tors. eta vs tors. theta energy: -68.157
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: 202
Temperature: 1.300000
Total energy: -695.981981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.981981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.981981 (E_RNA)
where:
Base-Base interactions energy: -441.837
where: short stacking energy: -193.439
Base-Backbone interact. energy: 2.535
local terms energy: -256.680570
where:
bonds (distance) C4'-P energy: -56.669
bonds (distance) P-C4' energy: -61.647
flat angles C4'-P-C4' energy: -63.322
flat angles P-C4'-P energy: -41.266
tors. eta vs tors. theta energy: -33.776
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: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -601.617852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.617852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.617852 (E_RNA)
where:
Base-Base interactions energy: -375.327
where: short stacking energy: -182.499
Base-Backbone interact. energy: -2.053
local terms energy: -224.238147
where:
bonds (distance) C4'-P energy: -54.767
bonds (distance) P-C4' energy: -53.069
flat angles C4'-P-C4' energy: -45.183
flat angles P-C4'-P energy: -34.605
tors. eta vs tors. theta energy: -36.615
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: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1479.068226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.068226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.068226 (E_RNA)
where:
Base-Base interactions energy: -1059.608
where: short stacking energy: -434.734
Base-Backbone interact. energy: 0.106
local terms energy: -419.566371
where:
bonds (distance) C4'-P energy: -73.228
bonds (distance) P-C4' energy: -79.159
flat angles C4'-P-C4' energy: -85.358
flat angles P-C4'-P energy: -53.112
tors. eta vs tors. theta energy: -128.710
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: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1342.378585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.378585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.378585 (E_RNA)
where:
Base-Base interactions energy: -958.300
where: short stacking energy: -395.746
Base-Backbone interact. energy: -2.560
local terms energy: -381.518610
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -68.532
flat angles C4'-P-C4' energy: -86.015
flat angles P-C4'-P energy: -53.373
tors. eta vs tors. theta energy: -113.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1300.671706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.671706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.671706 (E_RNA)
where:
Base-Base interactions energy: -924.880
where: short stacking energy: -387.618
Base-Backbone interact. energy: -0.855
local terms energy: -374.936517
where:
bonds (distance) C4'-P energy: -55.267
bonds (distance) P-C4' energy: -71.474
flat angles C4'-P-C4' energy: -78.787
flat angles P-C4'-P energy: -56.260
tors. eta vs tors. theta energy: -113.148
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: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1255.708088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.708088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.708088 (E_RNA)
where:
Base-Base interactions energy: -885.034
where: short stacking energy: -374.923
Base-Backbone interact. energy: -2.318
local terms energy: -368.356820
where:
bonds (distance) C4'-P energy: -67.114
bonds (distance) P-C4' energy: -64.345
flat angles C4'-P-C4' energy: -79.076
flat angles P-C4'-P energy: -53.552
tors. eta vs tors. theta energy: -104.270
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: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1194.051330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.051330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.051330 (E_RNA)
where:
Base-Base interactions energy: -835.353
where: short stacking energy: -351.174
Base-Backbone interact. energy: -0.512
local terms energy: -358.186479
where:
bonds (distance) C4'-P energy: -66.459
bonds (distance) P-C4' energy: -64.231
flat angles C4'-P-C4' energy: -74.987
flat angles P-C4'-P energy: -51.240
tors. eta vs tors. theta energy: -101.270
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: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1164.589280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.589280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.589280 (E_RNA)
where:
Base-Base interactions energy: -799.885
where: short stacking energy: -345.370
Base-Backbone interact. energy: -2.030
local terms energy: -362.674118
where:
bonds (distance) C4'-P energy: -74.616
bonds (distance) P-C4' energy: -63.191
flat angles C4'-P-C4' energy: -77.640
flat angles P-C4'-P energy: -51.725
tors. eta vs tors. theta energy: -95.503
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: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1020.177508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.177508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.177508 (E_RNA)
where:
Base-Base interactions energy: -715.740
where: short stacking energy: -313.642
Base-Backbone interact. energy: 0.716
local terms energy: -305.153773
where:
bonds (distance) C4'-P energy: -66.577
bonds (distance) P-C4' energy: -48.844
flat angles C4'-P-C4' energy: -67.233
flat angles P-C4'-P energy: -42.782
tors. eta vs tors. theta energy: -79.718
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: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -939.255424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.255424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.255424 (E_RNA)
where:
Base-Base interactions energy: -622.059
where: short stacking energy: -268.876
Base-Backbone interact. energy: -1.441
local terms energy: -315.755501
where:
bonds (distance) C4'-P energy: -62.815
bonds (distance) P-C4' energy: -76.890
flat angles C4'-P-C4' energy: -61.481
flat angles P-C4'-P energy: -48.307
tors. eta vs tors. theta energy: -66.262
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: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -715.841197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.841197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.841197 (E_RNA)
where:
Base-Base interactions energy: -487.970
where: short stacking energy: -220.661
Base-Backbone interact. energy: -0.746
local terms energy: -227.124827
where:
bonds (distance) C4'-P energy: -51.399
bonds (distance) P-C4' energy: -60.856
flat angles C4'-P-C4' energy: -62.130
flat angles P-C4'-P energy: -19.227
tors. eta vs tors. theta energy: -33.512
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: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -599.206658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.206658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.206658 (E_RNA)
where:
Base-Base interactions energy: -382.472
where: short stacking energy: -183.597
Base-Backbone interact. energy: 0.969
local terms energy: -217.703792
where:
bonds (distance) C4'-P energy: -57.188
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -44.577
flat angles P-C4'-P energy: -26.365
tors. eta vs tors. theta energy: -36.995
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: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1486.928593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.928593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.928593 (E_RNA)
where:
Base-Base interactions energy: -1054.644
where: short stacking energy: -429.539
Base-Backbone interact. energy: -2.391
local terms energy: -429.893027
where:
bonds (distance) C4'-P energy: -80.232
bonds (distance) P-C4' energy: -76.054
flat angles C4'-P-C4' energy: -86.878
flat angles P-C4'-P energy: -69.353
tors. eta vs tors. theta energy: -117.376
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: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1378.785470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.785470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.785470 (E_RNA)
where:
Base-Base interactions energy: -969.798
where: short stacking energy: -406.576
Base-Backbone interact. energy: -0.900
local terms energy: -408.087631
where:
bonds (distance) C4'-P energy: -76.687
bonds (distance) P-C4' energy: -80.576
flat angles C4'-P-C4' energy: -83.430
flat angles P-C4'-P energy: -54.993
tors. eta vs tors. theta energy: -112.400
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: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1296.382620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.382620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.382620 (E_RNA)
where:
Base-Base interactions energy: -918.313
where: short stacking energy: -388.245
Base-Backbone interact. energy: -1.587
local terms energy: -376.482495
where:
bonds (distance) C4'-P energy: -64.457
bonds (distance) P-C4' energy: -69.352
flat angles C4'-P-C4' energy: -81.338
flat angles P-C4'-P energy: -47.737
tors. eta vs tors. theta energy: -113.599
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: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1250.300410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.300410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.300410 (E_RNA)
where:
Base-Base interactions energy: -871.140
where: short stacking energy: -368.144
Base-Backbone interact. energy: -1.627
local terms energy: -377.533530
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -65.776
flat angles C4'-P-C4' energy: -78.043
flat angles P-C4'-P energy: -56.856
tors. eta vs tors. theta energy: -111.093
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: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1165.595205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.595205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.595205 (E_RNA)
where:
Base-Base interactions energy: -813.397
where: short stacking energy: -358.298
Base-Backbone interact. energy: 0.087
local terms energy: -352.285300
where:
bonds (distance) C4'-P energy: -74.607
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -75.667
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -92.702
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: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1152.593367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.593367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.593367 (E_RNA)
where:
Base-Base interactions energy: -815.475
where: short stacking energy: -344.637
Base-Backbone interact. energy: 0.994
local terms energy: -338.112096
where:
bonds (distance) C4'-P energy: -68.917
bonds (distance) P-C4' energy: -47.558
flat angles C4'-P-C4' energy: -73.851
flat angles P-C4'-P energy: -54.314
tors. eta vs tors. theta energy: -93.473
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: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1025.707358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.707358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.707358 (E_RNA)
where:
Base-Base interactions energy: -705.128
where: short stacking energy: -308.257
Base-Backbone interact. energy: 0.066
local terms energy: -320.646138
where:
bonds (distance) C4'-P energy: -66.016
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -73.357
flat angles P-C4'-P energy: -50.325
tors. eta vs tors. theta energy: -81.822
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: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -918.418808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.418808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.418808 (E_RNA)
where:
Base-Base interactions energy: -629.920
where: short stacking energy: -278.378
Base-Backbone interact. energy: -0.874
local terms energy: -287.624646
where:
bonds (distance) C4'-P energy: -62.161
bonds (distance) P-C4' energy: -59.761
flat angles C4'-P-C4' energy: -70.935
flat angles P-C4'-P energy: -30.238
tors. eta vs tors. theta energy: -64.528
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: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -715.407104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.407104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.407104 (E_RNA)
where:
Base-Base interactions energy: -463.999
where: short stacking energy: -186.745
Base-Backbone interact. energy: -0.344
local terms energy: -251.064338
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -59.903
flat angles C4'-P-C4' energy: -73.418
flat angles P-C4'-P energy: -34.638
tors. eta vs tors. theta energy: -31.075
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: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -587.834421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.834421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.834421 (E_RNA)
where:
Base-Base interactions energy: -362.075
where: short stacking energy: -179.253
Base-Backbone interact. energy: -0.597
local terms energy: -225.162254
where:
bonds (distance) C4'-P energy: -49.555
bonds (distance) P-C4' energy: -54.598
flat angles C4'-P-C4' energy: -66.059
flat angles P-C4'-P energy: -30.590
tors. eta vs tors. theta energy: -24.361
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: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1483.368686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.368686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.368686 (E_RNA)
where:
Base-Base interactions energy: -1058.783
where: short stacking energy: -439.076
Base-Backbone interact. energy: 0.165
local terms energy: -424.750680
where:
bonds (distance) C4'-P energy: -77.260
bonds (distance) P-C4' energy: -73.964
flat angles C4'-P-C4' energy: -92.778
flat angles P-C4'-P energy: -57.952
tors. eta vs tors. theta energy: -122.798
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: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1349.657301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.657301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.657301 (E_RNA)
where:
Base-Base interactions energy: -951.769
where: short stacking energy: -404.421
Base-Backbone interact. energy: -2.192
local terms energy: -395.696271
where:
bonds (distance) C4'-P energy: -74.944
bonds (distance) P-C4' energy: -74.053
flat angles C4'-P-C4' energy: -73.626
flat angles P-C4'-P energy: -59.220
tors. eta vs tors. theta energy: -113.854
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: 205
Temperature: 1.000000
Total energy: -1315.982793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.982793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.982793 (E_RNA)
where:
Base-Base interactions energy: -921.556
where: short stacking energy: -387.862
Base-Backbone interact. energy: -0.540
local terms energy: -393.887584
where:
bonds (distance) C4'-P energy: -74.506
bonds (distance) P-C4' energy: -70.074
flat angles C4'-P-C4' energy: -80.548
flat angles P-C4'-P energy: -50.580
tors. eta vs tors. theta energy: -118.179
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: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1235.132506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.132506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.132506 (E_RNA)
where:
Base-Base interactions energy: -875.000
where: short stacking energy: -352.493
Base-Backbone interact. energy: 1.233
local terms energy: -361.366081
where:
bonds (distance) C4'-P energy: -67.448
bonds (distance) P-C4' energy: -68.740
flat angles C4'-P-C4' energy: -77.493
flat angles P-C4'-P energy: -50.700
tors. eta vs tors. theta energy: -96.985
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: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1153.242649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.242649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.242649 (E_RNA)
where:
Base-Base interactions energy: -779.001
where: short stacking energy: -324.947
Base-Backbone interact. energy: -1.258
local terms energy: -372.983916
where:
bonds (distance) C4'-P energy: -69.432
bonds (distance) P-C4' energy: -80.688
flat angles C4'-P-C4' energy: -79.176
flat angles P-C4'-P energy: -55.088
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: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1132.142696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.142696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.142696 (E_RNA)
where:
Base-Base interactions energy: -792.023
where: short stacking energy: -340.181
Base-Backbone interact. energy: 2.928
local terms energy: -343.048306
where:
bonds (distance) C4'-P energy: -66.511
bonds (distance) P-C4' energy: -69.870
flat angles C4'-P-C4' energy: -68.904
flat angles P-C4'-P energy: -41.388
tors. eta vs tors. theta energy: -96.375
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: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1067.671657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.671657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.671657 (E_RNA)
where:
Base-Base interactions energy: -730.784
where: short stacking energy: -334.193
Base-Backbone interact. energy: 0.677
local terms energy: -337.564206
where:
bonds (distance) C4'-P energy: -55.535
bonds (distance) P-C4' energy: -72.889
flat angles C4'-P-C4' energy: -77.671
flat angles P-C4'-P energy: -45.877
tors. eta vs tors. theta energy: -85.592
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: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -885.725031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.725031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.725031 (E_RNA)
where:
Base-Base interactions energy: -595.888
where: short stacking energy: -260.866
Base-Backbone interact. energy: -0.316
local terms energy: -289.520636
where:
bonds (distance) C4'-P energy: -59.129
bonds (distance) P-C4' energy: -59.814
flat angles C4'-P-C4' energy: -77.378
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -59.442
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: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -771.018620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.018620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.018620 (E_RNA)
where:
Base-Base interactions energy: -548.723
where: short stacking energy: -222.123
Base-Backbone interact. energy: 0.304
local terms energy: -222.599896
where:
bonds (distance) C4'-P energy: -53.486
bonds (distance) P-C4' energy: -50.327
flat angles C4'-P-C4' energy: -41.384
flat angles P-C4'-P energy: -34.567
tors. eta vs tors. theta energy: -42.836
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: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -638.296810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.296810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.296810 (E_RNA)
where:
Base-Base interactions energy: -381.539
where: short stacking energy: -176.288
Base-Backbone interact. energy: -1.209
local terms energy: -255.549074
where:
bonds (distance) C4'-P energy: -53.687
bonds (distance) P-C4' energy: -70.458
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -33.503
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: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1482.469726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.469726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.469726 (E_RNA)
where:
Base-Base interactions energy: -1061.303
where: short stacking energy: -445.142
Base-Backbone interact. energy: -1.906
local terms energy: -419.260633
where:
bonds (distance) C4'-P energy: -76.374
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -88.853
flat angles P-C4'-P energy: -48.745
tors. eta vs tors. theta energy: -128.755
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: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1353.437045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.437045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.437045 (E_RNA)
where:
Base-Base interactions energy: -951.426
where: short stacking energy: -389.197
Base-Backbone interact. energy: -1.763
local terms energy: -400.247365
where:
bonds (distance) C4'-P energy: -76.529
bonds (distance) P-C4' energy: -72.803
flat angles C4'-P-C4' energy: -86.451
flat angles P-C4'-P energy: -58.301
tors. eta vs tors. theta energy: -106.163
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: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1281.590025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.590025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.590025 (E_RNA)
where:
Base-Base interactions energy: -902.958
where: short stacking energy: -371.086
Base-Backbone interact. energy: -1.100
local terms energy: -377.531917
where:
bonds (distance) C4'-P energy: -65.495
bonds (distance) P-C4' energy: -75.656
flat angles C4'-P-C4' energy: -77.028
flat angles P-C4'-P energy: -56.209
tors. eta vs tors. theta energy: -103.145
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: 206
Temperature: 1.050000
Total energy: -1307.224447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.224447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.224447 (E_RNA)
where:
Base-Base interactions energy: -924.662
where: short stacking energy: -398.138
Base-Backbone interact. energy: -1.594
local terms energy: -380.967920
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -76.353
flat angles C4'-P-C4' energy: -79.678
flat angles P-C4'-P energy: -51.415
tors. eta vs tors. theta energy: -108.632
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: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1202.142911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.142911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.142911 (E_RNA)
where:
Base-Base interactions energy: -849.177
where: short stacking energy: -374.044
Base-Backbone interact. energy: 2.484
local terms energy: -355.449985
where:
bonds (distance) C4'-P energy: -57.536
bonds (distance) P-C4' energy: -72.295
flat angles C4'-P-C4' energy: -76.447
flat angles P-C4'-P energy: -46.543
tors. eta vs tors. theta energy: -102.629
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: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1130.521906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.521906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.521906 (E_RNA)
where:
Base-Base interactions energy: -800.813
where: short stacking energy: -328.145
Base-Backbone interact. energy: -1.104
local terms energy: -328.604069
where:
bonds (distance) C4'-P energy: -63.031
bonds (distance) P-C4' energy: -64.987
flat angles C4'-P-C4' energy: -65.985
flat angles P-C4'-P energy: -47.816
tors. eta vs tors. theta energy: -86.785
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: 206
Temperature: 1.200000
Total energy: -1036.655051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.655051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.655051 (E_RNA)
where:
Base-Base interactions energy: -727.706
where: short stacking energy: -306.353
Base-Backbone interact. energy: -3.011
local terms energy: -305.938308
where:
bonds (distance) C4'-P energy: -56.552
bonds (distance) P-C4' energy: -63.551
flat angles C4'-P-C4' energy: -54.642
flat angles P-C4'-P energy: -51.747
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: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -915.468460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.468460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.468460 (E_RNA)
where:
Base-Base interactions energy: -609.140
where: short stacking energy: -268.131
Base-Backbone interact. energy: 2.131
local terms energy: -308.459364
where:
bonds (distance) C4'-P energy: -55.308
bonds (distance) P-C4' energy: -68.521
flat angles C4'-P-C4' energy: -71.528
flat angles P-C4'-P energy: -40.090
tors. eta vs tors. theta energy: -73.012
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: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -806.784621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.784621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.784621 (E_RNA)
where:
Base-Base interactions energy: -545.430
where: short stacking energy: -223.038
Base-Backbone interact. energy: -0.214
local terms energy: -261.140783
where:
bonds (distance) C4'-P energy: -49.670
bonds (distance) P-C4' energy: -71.292
flat angles C4'-P-C4' energy: -75.905
flat angles P-C4'-P energy: -29.161
tors. eta vs tors. theta energy: -35.114
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: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -689.903147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.903147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.903147 (E_RNA)
where:
Base-Base interactions energy: -443.992
where: short stacking energy: -191.070
Base-Backbone interact. energy: -2.910
local terms energy: -243.001720
where:
bonds (distance) C4'-P energy: -53.700
bonds (distance) P-C4' energy: -53.213
flat angles C4'-P-C4' energy: -67.612
flat angles P-C4'-P energy: -38.450
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: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1502.143735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.143735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.143735 (E_RNA)
where:
Base-Base interactions energy: -1060.646
where: short stacking energy: -438.244
Base-Backbone interact. energy: -2.592
local terms energy: -438.904966
where:
bonds (distance) C4'-P energy: -74.449
bonds (distance) P-C4' energy: -84.557
flat angles C4'-P-C4' energy: -91.843
flat angles P-C4'-P energy: -63.582
tors. eta vs tors. theta energy: -124.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1347.795438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.795438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.795438 (E_RNA)
where:
Base-Base interactions energy: -955.010
where: short stacking energy: -399.876
Base-Backbone interact. energy: 0.811
local terms energy: -393.597008
where:
bonds (distance) C4'-P energy: -66.263
bonds (distance) P-C4' energy: -74.546
flat angles C4'-P-C4' energy: -83.351
flat angles P-C4'-P energy: -61.654
tors. eta vs tors. theta energy: -107.783
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: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1243.418882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.418882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.418882 (E_RNA)
where:
Base-Base interactions energy: -879.096
where: short stacking energy: -364.559
Base-Backbone interact. energy: -0.434
local terms energy: -363.889009
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -67.396
flat angles C4'-P-C4' energy: -82.511
flat angles P-C4'-P energy: -57.729
tors. eta vs tors. theta energy: -99.951
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: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1311.720172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.720172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.720172 (E_RNA)
where:
Base-Base interactions energy: -899.812
where: short stacking energy: -374.579
Base-Backbone interact. energy: -1.137
local terms energy: -410.770974
where:
bonds (distance) C4'-P energy: -77.826
bonds (distance) P-C4' energy: -67.455
flat angles C4'-P-C4' energy: -86.073
flat angles P-C4'-P energy: -70.947
tors. eta vs tors. theta energy: -108.470
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: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1202.909190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.909190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.909190 (E_RNA)
where:
Base-Base interactions energy: -865.883
where: short stacking energy: -357.147
Base-Backbone interact. energy: 2.590
local terms energy: -339.616753
where:
bonds (distance) C4'-P energy: -63.580
bonds (distance) P-C4' energy: -48.416
flat angles C4'-P-C4' energy: -69.606
flat angles P-C4'-P energy: -52.124
tors. eta vs tors. theta energy: -105.890
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: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1107.106878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.106878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.106878 (E_RNA)
where:
Base-Base interactions energy: -756.868
where: short stacking energy: -337.176
Base-Backbone interact. energy: -0.786
local terms energy: -349.453008
where:
bonds (distance) C4'-P energy: -60.935
bonds (distance) P-C4' energy: -66.437
flat angles C4'-P-C4' energy: -79.367
flat angles P-C4'-P energy: -47.663
tors. eta vs tors. theta energy: -95.051
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: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1063.433309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.433309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.433309 (E_RNA)
where:
Base-Base interactions energy: -739.844
where: short stacking energy: -305.159
Base-Backbone interact. energy: 5.796
local terms energy: -329.384982
where:
bonds (distance) C4'-P energy: -51.166
bonds (distance) P-C4' energy: -67.476
flat angles C4'-P-C4' energy: -75.436
flat angles P-C4'-P energy: -52.992
tors. eta vs tors. theta energy: -82.316
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: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -897.052922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.052922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.052922 (E_RNA)
where:
Base-Base interactions energy: -604.188
where: short stacking energy: -272.765
Base-Backbone interact. energy: 1.292
local terms energy: -294.156754
where:
bonds (distance) C4'-P energy: -64.316
bonds (distance) P-C4' energy: -51.503
flat angles C4'-P-C4' energy: -66.400
flat angles P-C4'-P energy: -47.194
tors. eta vs tors. theta energy: -64.745
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: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -834.335496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.335496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.335496 (E_RNA)
where:
Base-Base interactions energy: -563.320
where: short stacking energy: -233.342
Base-Backbone interact. energy: 0.702
local terms energy: -271.717754
where:
bonds (distance) C4'-P energy: -58.672
bonds (distance) P-C4' energy: -66.681
flat angles C4'-P-C4' energy: -58.809
flat angles P-C4'-P energy: -36.783
tors. eta vs tors. theta energy: -50.773
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: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -648.811166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.811166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.811166 (E_RNA)
where:
Base-Base interactions energy: -416.768
where: short stacking energy: -195.751
Base-Backbone interact. energy: 2.862
local terms energy: -234.904854
where:
bonds (distance) C4'-P energy: -61.643
bonds (distance) P-C4' energy: -62.546
flat angles C4'-P-C4' energy: -47.397
flat angles P-C4'-P energy: -33.194
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: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1487.728323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.728323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.728323 (E_RNA)
where:
Base-Base interactions energy: -1071.294
where: short stacking energy: -439.648
Base-Backbone interact. energy: -1.056
local terms energy: -415.378212
where:
bonds (distance) C4'-P energy: -75.460
bonds (distance) P-C4' energy: -72.911
flat angles C4'-P-C4' energy: -80.588
flat angles P-C4'-P energy: -61.937
tors. eta vs tors. theta energy: -124.482
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: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1353.826734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.826734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.826734 (E_RNA)
where:
Base-Base interactions energy: -979.166
where: short stacking energy: -403.288
Base-Backbone interact. energy: 0.805
local terms energy: -375.465541
where:
bonds (distance) C4'-P energy: -61.395
bonds (distance) P-C4' energy: -64.793
flat angles C4'-P-C4' energy: -83.832
flat angles P-C4'-P energy: -59.244
tors. eta vs tors. theta energy: -106.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1319.388457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.388457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.388457 (E_RNA)
where:
Base-Base interactions energy: -920.289
where: short stacking energy: -382.732
Base-Backbone interact. energy: -0.595
local terms energy: -398.504906
where:
bonds (distance) C4'-P energy: -70.743
bonds (distance) P-C4' energy: -79.466
flat angles C4'-P-C4' energy: -88.967
flat angles P-C4'-P energy: -46.649
tors. eta vs tors. theta energy: -112.679
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: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1241.038041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.038041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.038041 (E_RNA)
where:
Base-Base interactions energy: -879.370
where: short stacking energy: -370.229
Base-Backbone interact. energy: -0.803
local terms energy: -360.864735
where:
bonds (distance) C4'-P energy: -60.671
bonds (distance) P-C4' energy: -70.936
flat angles C4'-P-C4' energy: -83.968
flat angles P-C4'-P energy: -46.408
tors. eta vs tors. theta energy: -98.881
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: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1195.518954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.518954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.518954 (E_RNA)
where:
Base-Base interactions energy: -826.829
where: short stacking energy: -347.327
Base-Backbone interact. energy: -1.722
local terms energy: -366.967959
where:
bonds (distance) C4'-P energy: -62.886
bonds (distance) P-C4' energy: -66.662
flat angles C4'-P-C4' energy: -83.198
flat angles P-C4'-P energy: -49.498
tors. eta vs tors. theta energy: -104.724
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: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1101.481385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.481385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.481385 (E_RNA)
where:
Base-Base interactions energy: -747.660
where: short stacking energy: -332.118
Base-Backbone interact. energy: -0.957
local terms energy: -352.864700
where:
bonds (distance) C4'-P energy: -59.348
bonds (distance) P-C4' energy: -73.279
flat angles C4'-P-C4' energy: -79.345
flat angles P-C4'-P energy: -53.206
tors. eta vs tors. theta energy: -87.686
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: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1085.388250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.388250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.388250 (E_RNA)
where:
Base-Base interactions energy: -752.326
where: short stacking energy: -308.277
Base-Backbone interact. energy: 1.182
local terms energy: -334.244514
where:
bonds (distance) C4'-P energy: -55.901
bonds (distance) P-C4' energy: -73.654
flat angles C4'-P-C4' energy: -79.758
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -77.005
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: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -924.194325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.194325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.194325 (E_RNA)
where:
Base-Base interactions energy: -610.306
where: short stacking energy: -271.013
Base-Backbone interact. energy: -0.818
local terms energy: -313.070513
where:
bonds (distance) C4'-P energy: -66.590
bonds (distance) P-C4' energy: -69.410
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -43.255
tors. eta vs tors. theta energy: -66.234
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: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -925.264622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.264622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.264622 (E_RNA)
where:
Base-Base interactions energy: -650.063
where: short stacking energy: -271.320
Base-Backbone interact. energy: -1.572
local terms energy: -273.629159
where:
bonds (distance) C4'-P energy: -51.310
bonds (distance) P-C4' energy: -69.396
flat angles C4'-P-C4' energy: -68.005
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: -61.662
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: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -645.974191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.974191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.974191 (E_RNA)
where:
Base-Base interactions energy: -420.618
where: short stacking energy: -195.815
Base-Backbone interact. energy: -0.669
local terms energy: -224.687381
where:
bonds (distance) C4'-P energy: -41.668
bonds (distance) P-C4' energy: -56.785
flat angles C4'-P-C4' energy: -67.963
flat angles P-C4'-P energy: -32.488
tors. eta vs tors. theta energy: -25.783
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: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1470.842406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.842406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.842406 (E_RNA)
where:
Base-Base interactions energy: -1046.596
where: short stacking energy: -425.603
Base-Backbone interact. energy: -1.358
local terms energy: -422.889096
where:
bonds (distance) C4'-P energy: -72.190
bonds (distance) P-C4' energy: -84.491
flat angles C4'-P-C4' energy: -88.261
flat angles P-C4'-P energy: -59.317
tors. eta vs tors. theta energy: -118.630
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: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1367.741281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.741281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.741281 (E_RNA)
where:
Base-Base interactions energy: -966.938
where: short stacking energy: -418.489
Base-Backbone interact. energy: -2.141
local terms energy: -398.662878
where:
bonds (distance) C4'-P energy: -62.897
bonds (distance) P-C4' energy: -74.592
flat angles C4'-P-C4' energy: -88.405
flat angles P-C4'-P energy: -57.362
tors. eta vs tors. theta energy: -115.407
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: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1329.272798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.272798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.272798 (E_RNA)
where:
Base-Base interactions energy: -943.391
where: short stacking energy: -405.592
Base-Backbone interact. energy: 1.064
local terms energy: -386.945172
where:
bonds (distance) C4'-P energy: -71.715
bonds (distance) P-C4' energy: -73.497
flat angles C4'-P-C4' energy: -77.410
flat angles P-C4'-P energy: -51.253
tors. eta vs tors. theta energy: -113.070
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: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1219.580906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.580906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.580906 (E_RNA)
where:
Base-Base interactions energy: -858.397
where: short stacking energy: -366.450
Base-Backbone interact. energy: 0.137
local terms energy: -361.320934
where:
bonds (distance) C4'-P energy: -72.364
bonds (distance) P-C4' energy: -61.080
flat angles C4'-P-C4' energy: -75.156
flat angles P-C4'-P energy: -43.234
tors. eta vs tors. theta energy: -109.487
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: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1198.833343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.833343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.833343 (E_RNA)
where:
Base-Base interactions energy: -853.823
where: short stacking energy: -354.382
Base-Backbone interact. energy: -0.728
local terms energy: -344.282669
where:
bonds (distance) C4'-P energy: -62.654
bonds (distance) P-C4' energy: -64.088
flat angles C4'-P-C4' energy: -78.214
flat angles P-C4'-P energy: -47.289
tors. eta vs tors. theta energy: -92.037
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: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1092.862320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.862320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.862320 (E_RNA)
where:
Base-Base interactions energy: -739.010
where: short stacking energy: -311.977
Base-Backbone interact. energy: -1.630
local terms energy: -352.223246
where:
bonds (distance) C4'-P energy: -75.348
bonds (distance) P-C4' energy: -71.881
flat angles C4'-P-C4' energy: -72.192
flat angles P-C4'-P energy: -53.264
tors. eta vs tors. theta energy: -79.538
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: 7, replica: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1099.328784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.328784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.328784 (E_RNA)
where:
Base-Base interactions energy: -781.838
where: short stacking energy: -335.297
Base-Backbone interact. energy: -1.229
local terms energy: -316.261424
where:
bonds (distance) C4'-P energy: -60.996
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -73.998
flat angles P-C4'-P energy: -41.264
tors. eta vs tors. theta energy: -91.833
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: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -919.193275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.193275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.193275 (E_RNA)
where:
Base-Base interactions energy: -637.808
where: short stacking energy: -258.942
Base-Backbone interact. energy: 0.747
local terms energy: -282.132355
where:
bonds (distance) C4'-P energy: -54.234
bonds (distance) P-C4' energy: -60.533
flat angles C4'-P-C4' energy: -71.657
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -57.127
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: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -871.993873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.993873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.993873 (E_RNA)
where:
Base-Base interactions energy: -596.650
where: short stacking energy: -260.318
Base-Backbone interact. energy: 0.753
local terms energy: -276.097365
where:
bonds (distance) C4'-P energy: -64.992
bonds (distance) P-C4' energy: -62.353
flat angles C4'-P-C4' energy: -53.438
flat angles P-C4'-P energy: -47.738
tors. eta vs tors. theta energy: -47.576
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: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -694.479030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.479030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.479030 (E_RNA)
where:
Base-Base interactions energy: -444.917
where: short stacking energy: -194.721
Base-Backbone interact. energy: -2.265
local terms energy: -247.297049
where:
bonds (distance) C4'-P energy: -63.553
bonds (distance) P-C4' energy: -58.612
flat angles C4'-P-C4' energy: -65.858
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: -22.129
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: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1473.380604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.380604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.380604 (E_RNA)
where:
Base-Base interactions energy: -1046.197
where: short stacking energy: -434.373
Base-Backbone interact. energy: -1.158
local terms energy: -426.025471
where:
bonds (distance) C4'-P energy: -82.019
bonds (distance) P-C4' energy: -75.139
flat angles C4'-P-C4' energy: -83.276
flat angles P-C4'-P energy: -60.976
tors. eta vs tors. theta energy: -124.616
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: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1345.057577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.057577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.057577 (E_RNA)
where:
Base-Base interactions energy: -955.853
where: short stacking energy: -402.054
Base-Backbone interact. energy: -1.653
local terms energy: -387.551827
where:
bonds (distance) C4'-P energy: -72.858
bonds (distance) P-C4' energy: -75.754
flat angles C4'-P-C4' energy: -81.865
flat angles P-C4'-P energy: -48.058
tors. eta vs tors. theta energy: -109.017
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: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1325.427599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.427599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.427599 (E_RNA)
where:
Base-Base interactions energy: -940.044
where: short stacking energy: -394.456
Base-Backbone interact. energy: -0.169
local terms energy: -385.214272
where:
bonds (distance) C4'-P energy: -67.403
bonds (distance) P-C4' energy: -73.955
flat angles C4'-P-C4' energy: -81.475
flat angles P-C4'-P energy: -48.132
tors. eta vs tors. theta energy: -114.250
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: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1223.737530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.737530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.737530 (E_RNA)
where:
Base-Base interactions energy: -843.905
where: short stacking energy: -362.478
Base-Backbone interact. energy: 0.899
local terms energy: -380.731041
where:
bonds (distance) C4'-P energy: -70.073
bonds (distance) P-C4' energy: -75.466
flat angles C4'-P-C4' energy: -77.866
flat angles P-C4'-P energy: -58.150
tors. eta vs tors. theta energy: -99.176
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: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1213.759051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.759051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.759051 (E_RNA)
where:
Base-Base interactions energy: -861.438
where: short stacking energy: -368.720
Base-Backbone interact. energy: -1.911
local terms energy: -350.410440
where:
bonds (distance) C4'-P energy: -65.238
bonds (distance) P-C4' energy: -58.981
flat angles C4'-P-C4' energy: -82.618
flat angles P-C4'-P energy: -49.797
tors. eta vs tors. theta energy: -93.777
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: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1108.679133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.679133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.679133 (E_RNA)
where:
Base-Base interactions energy: -781.740
where: short stacking energy: -340.287
Base-Backbone interact. energy: 0.189
local terms energy: -327.128288
where:
bonds (distance) C4'-P energy: -62.483
bonds (distance) P-C4' energy: -62.285
flat angles C4'-P-C4' energy: -79.992
flat angles P-C4'-P energy: -44.323
tors. eta vs tors. theta energy: -78.046
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: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1092.794916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.794916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.794916 (E_RNA)
where:
Base-Base interactions energy: -760.109
where: short stacking energy: -320.252
Base-Backbone interact. energy: -1.160
local terms energy: -331.525972
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -61.476
flat angles C4'-P-C4' energy: -73.819
flat angles P-C4'-P energy: -46.863
tors. eta vs tors. theta energy: -88.390
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: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -882.514108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.514108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.514108 (E_RNA)
where:
Base-Base interactions energy: -631.452
where: short stacking energy: -247.972
Base-Backbone interact. energy: -1.818
local terms energy: -249.244118
where:
bonds (distance) C4'-P energy: -54.809
bonds (distance) P-C4' energy: -56.550
flat angles C4'-P-C4' energy: -51.105
flat angles P-C4'-P energy: -33.283
tors. eta vs tors. theta energy: -53.497
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: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -867.955668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.955668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.955668 (E_RNA)
where:
Base-Base interactions energy: -591.677
where: short stacking energy: -238.992
Base-Backbone interact. energy: 0.581
local terms energy: -276.859246
where:
bonds (distance) C4'-P energy: -66.467
bonds (distance) P-C4' energy: -70.954
flat angles C4'-P-C4' energy: -41.508
flat angles P-C4'-P energy: -43.266
tors. eta vs tors. theta energy: -54.664
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: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -635.697147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.697147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.697147 (E_RNA)
where:
Base-Base interactions energy: -403.739
where: short stacking energy: -188.180
Base-Backbone interact. energy: 1.553
local terms energy: -233.511584
where:
bonds (distance) C4'-P energy: -61.135
bonds (distance) P-C4' energy: -48.589
flat angles C4'-P-C4' energy: -67.473
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -23.071
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: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1485.129261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.129261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.129261 (E_RNA)
where:
Base-Base interactions energy: -1067.388
where: short stacking energy: -435.105
Base-Backbone interact. energy: -1.701
local terms energy: -416.040045
where:
bonds (distance) C4'-P energy: -73.494
bonds (distance) P-C4' energy: -75.820
flat angles C4'-P-C4' energy: -88.460
flat angles P-C4'-P energy: -55.832
tors. eta vs tors. theta energy: -122.434
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: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1364.624696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.624696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.624696 (E_RNA)
where:
Base-Base interactions energy: -965.502
where: short stacking energy: -389.786
Base-Backbone interact. energy: 0.849
local terms energy: -399.971747
where:
bonds (distance) C4'-P energy: -63.430
bonds (distance) P-C4' energy: -79.914
flat angles C4'-P-C4' energy: -84.344
flat angles P-C4'-P energy: -59.485
tors. eta vs tors. theta energy: -112.798
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: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1318.122584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.122584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.122584 (E_RNA)
where:
Base-Base interactions energy: -910.949
where: short stacking energy: -387.405
Base-Backbone interact. energy: -3.312
local terms energy: -403.861041
where:
bonds (distance) C4'-P energy: -72.665
bonds (distance) P-C4' energy: -77.685
flat angles C4'-P-C4' energy: -86.173
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: -111.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1205.721407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.721407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.721407 (E_RNA)
where:
Base-Base interactions energy: -866.972
where: short stacking energy: -365.246
Base-Backbone interact. energy: -0.485
local terms energy: -338.264242
where:
bonds (distance) C4'-P energy: -46.689
bonds (distance) P-C4' energy: -68.621
flat angles C4'-P-C4' energy: -75.384
flat angles P-C4'-P energy: -53.000
tors. eta vs tors. theta energy: -94.570
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: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1220.334629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.334629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.334629 (E_RNA)
where:
Base-Base interactions energy: -859.178
where: short stacking energy: -345.787
Base-Backbone interact. energy: -3.793
local terms energy: -357.363130
where:
bonds (distance) C4'-P energy: -61.303
bonds (distance) P-C4' energy: -67.427
flat angles C4'-P-C4' energy: -85.228
flat angles P-C4'-P energy: -50.417
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: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1122.213809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.213809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.213809 (E_RNA)
where:
Base-Base interactions energy: -762.876
where: short stacking energy: -316.395
Base-Backbone interact. energy: -1.844
local terms energy: -357.494029
where:
bonds (distance) C4'-P energy: -59.291
bonds (distance) P-C4' energy: -66.914
flat angles C4'-P-C4' energy: -81.464
flat angles P-C4'-P energy: -52.526
tors. eta vs tors. theta energy: -97.300
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: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1074.876561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.876561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.876561 (E_RNA)
where:
Base-Base interactions energy: -725.351
where: short stacking energy: -323.431
Base-Backbone interact. energy: -0.424
local terms energy: -349.101394
where:
bonds (distance) C4'-P energy: -68.345
bonds (distance) P-C4' energy: -66.758
flat angles C4'-P-C4' energy: -80.073
flat angles P-C4'-P energy: -45.247
tors. eta vs tors. theta energy: -88.678
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: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -934.039057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.039057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.039057 (E_RNA)
where:
Base-Base interactions energy: -653.892
where: short stacking energy: -260.344
Base-Backbone interact. energy: -3.903
local terms energy: -276.244081
where:
bonds (distance) C4'-P energy: -56.652
bonds (distance) P-C4' energy: -58.811
flat angles C4'-P-C4' energy: -67.018
flat angles P-C4'-P energy: -46.532
tors. eta vs tors. theta energy: -47.231
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: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -878.905747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.905747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.905747 (E_RNA)
where:
Base-Base interactions energy: -586.337
where: short stacking energy: -257.282
Base-Backbone interact. energy: -0.430
local terms energy: -292.139429
where:
bonds (distance) C4'-P energy: -57.661
bonds (distance) P-C4' energy: -63.864
flat angles C4'-P-C4' energy: -60.070
flat angles P-C4'-P energy: -43.827
tors. eta vs tors. theta energy: -66.717
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: 3
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -687.862820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.862820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.862820 (E_RNA)
where:
Base-Base interactions energy: -446.331
where: short stacking energy: -192.487
Base-Backbone interact. energy: 2.709
local terms energy: -244.241202
where:
bonds (distance) C4'-P energy: -69.545
bonds (distance) P-C4' energy: -55.887
flat angles C4'-P-C4' energy: -49.472
flat angles P-C4'-P energy: -30.629
tors. eta vs tors. theta energy: -38.708
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: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1480.950782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.950782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.950782 (E_RNA)
where:
Base-Base interactions energy: -1056.498
where: short stacking energy: -431.385
Base-Backbone interact. energy: -0.778
local terms energy: -423.675298
where:
bonds (distance) C4'-P energy: -73.629
bonds (distance) P-C4' energy: -78.597
flat angles C4'-P-C4' energy: -89.266
flat angles P-C4'-P energy: -58.239
tors. eta vs tors. theta energy: -123.944
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: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1375.910508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.910508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.910508 (E_RNA)
where:
Base-Base interactions energy: -986.387
where: short stacking energy: -413.048
Base-Backbone interact. energy: -3.321
local terms energy: -386.202626
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -75.992
flat angles C4'-P-C4' energy: -84.551
flat angles P-C4'-P energy: -44.490
tors. eta vs tors. theta energy: -115.172
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: 212
Temperature: 1.000000
Total energy: -1336.351108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.351108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.351108 (E_RNA)
where:
Base-Base interactions energy: -935.373
where: short stacking energy: -395.117
Base-Backbone interact. energy: -0.370
local terms energy: -400.608400
where:
bonds (distance) C4'-P energy: -68.669
bonds (distance) P-C4' energy: -70.592
flat angles C4'-P-C4' energy: -87.843
flat angles P-C4'-P energy: -57.227
tors. eta vs tors. theta energy: -116.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1224.368536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.368536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.368536 (E_RNA)
where:
Base-Base interactions energy: -847.351
where: short stacking energy: -372.464
Base-Backbone interact. energy: -1.698
local terms energy: -375.319025
where:
bonds (distance) C4'-P energy: -58.474
bonds (distance) P-C4' energy: -73.683
flat angles C4'-P-C4' energy: -86.904
flat angles P-C4'-P energy: -52.603
tors. eta vs tors. theta energy: -103.655
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: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1203.816401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.816401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.816401 (E_RNA)
where:
Base-Base interactions energy: -861.988
where: short stacking energy: -363.676
Base-Backbone interact. energy: -2.077
local terms energy: -339.752156
where:
bonds (distance) C4'-P energy: -52.417
bonds (distance) P-C4' energy: -66.569
flat angles C4'-P-C4' energy: -71.423
flat angles P-C4'-P energy: -48.655
tors. eta vs tors. theta energy: -100.688
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: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1157.878874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.878874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.878874 (E_RNA)
where:
Base-Base interactions energy: -792.855
where: short stacking energy: -341.290
Base-Backbone interact. energy: 1.940
local terms energy: -366.963779
where:
bonds (distance) C4'-P energy: -70.104
bonds (distance) P-C4' energy: -63.906
flat angles C4'-P-C4' energy: -84.173
flat angles P-C4'-P energy: -49.571
tors. eta vs tors. theta energy: -99.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1069.078615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.078615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.078615 (E_RNA)
where:
Base-Base interactions energy: -739.835
where: short stacking energy: -338.521
Base-Backbone interact. energy: -0.124
local terms energy: -329.119923
where:
bonds (distance) C4'-P energy: -66.410
bonds (distance) P-C4' energy: -56.935
flat angles C4'-P-C4' energy: -74.099
flat angles P-C4'-P energy: -45.216
tors. eta vs tors. theta energy: -86.461
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: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -929.389645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.389645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.389645 (E_RNA)
where:
Base-Base interactions energy: -667.562
where: short stacking energy: -261.382
Base-Backbone interact. energy: 1.755
local terms energy: -263.582323
where:
bonds (distance) C4'-P energy: -64.064
bonds (distance) P-C4' energy: -64.097
flat angles C4'-P-C4' energy: -55.048
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -53.496
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: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -840.242481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.242481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.242481 (E_RNA)
where:
Base-Base interactions energy: -573.755
where: short stacking energy: -246.522
Base-Backbone interact. energy: -0.152
local terms energy: -266.335812
where:
bonds (distance) C4'-P energy: -48.609
bonds (distance) P-C4' energy: -61.099
flat angles C4'-P-C4' energy: -70.792
flat angles P-C4'-P energy: -33.423
tors. eta vs tors. theta energy: -52.413
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: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -660.333293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.333293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.333293 (E_RNA)
where:
Base-Base interactions energy: -407.898
where: short stacking energy: -174.492
Base-Backbone interact. energy: -1.477
local terms energy: -250.958235
where:
bonds (distance) C4'-P energy: -46.985
bonds (distance) P-C4' energy: -71.290
flat angles C4'-P-C4' energy: -63.755
flat angles P-C4'-P energy: -30.599
tors. eta vs tors. theta energy: -38.329
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: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1469.133877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.133877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.133877 (E_RNA)
where:
Base-Base interactions energy: -1065.414
where: short stacking energy: -433.923
Base-Backbone interact. energy: 1.262
local terms energy: -404.981597
where:
bonds (distance) C4'-P energy: -63.214
bonds (distance) P-C4' energy: -72.373
flat angles C4'-P-C4' energy: -91.385
flat angles P-C4'-P energy: -51.840
tors. eta vs tors. theta energy: -126.170
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: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1350.340978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.340978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.340978 (E_RNA)
where:
Base-Base interactions energy: -958.473
where: short stacking energy: -405.382
Base-Backbone interact. energy: -0.452
local terms energy: -391.416579
where:
bonds (distance) C4'-P energy: -70.283
bonds (distance) P-C4' energy: -74.203
flat angles C4'-P-C4' energy: -89.787
flat angles P-C4'-P energy: -48.731
tors. eta vs tors. theta energy: -108.412
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: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1345.782596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.782596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.782596 (E_RNA)
where:
Base-Base interactions energy: -956.864
where: short stacking energy: -393.433
Base-Backbone interact. energy: -0.710
local terms energy: -388.208141
where:
bonds (distance) C4'-P energy: -68.720
bonds (distance) P-C4' energy: -76.474
flat angles C4'-P-C4' energy: -83.563
flat angles P-C4'-P energy: -47.793
tors. eta vs tors. theta energy: -111.657
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: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1220.892821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.892821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.892821 (E_RNA)
where:
Base-Base interactions energy: -854.445
where: short stacking energy: -370.034
Base-Backbone interact. energy: 2.027
local terms energy: -368.475392
where:
bonds (distance) C4'-P energy: -73.743
bonds (distance) P-C4' energy: -73.956
flat angles C4'-P-C4' energy: -75.469
flat angles P-C4'-P energy: -47.086
tors. eta vs tors. theta energy: -98.222
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: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1222.370559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.370559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.370559 (E_RNA)
where:
Base-Base interactions energy: -872.372
where: short stacking energy: -363.653
Base-Backbone interact. energy: -0.026
local terms energy: -349.972819
where:
bonds (distance) C4'-P energy: -62.475
bonds (distance) P-C4' energy: -74.363
flat angles C4'-P-C4' energy: -73.407
flat angles P-C4'-P energy: -46.999
tors. eta vs tors. theta energy: -92.730
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: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1068.878991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.878991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.878991 (E_RNA)
where:
Base-Base interactions energy: -724.247
where: short stacking energy: -324.318
Base-Backbone interact. energy: 1.222
local terms energy: -345.853296
where:
bonds (distance) C4'-P energy: -64.815
bonds (distance) P-C4' energy: -72.267
flat angles C4'-P-C4' energy: -72.065
flat angles P-C4'-P energy: -47.168
tors. eta vs tors. theta energy: -89.538
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: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1105.073441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.073441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.073441 (E_RNA)
where:
Base-Base interactions energy: -749.774
where: short stacking energy: -330.692
Base-Backbone interact. energy: 3.456
local terms energy: -358.755209
where:
bonds (distance) C4'-P energy: -66.677
bonds (distance) P-C4' energy: -72.025
flat angles C4'-P-C4' energy: -78.434
flat angles P-C4'-P energy: -49.350
tors. eta vs tors. theta energy: -92.269
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: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -948.620655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.620655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.620655 (E_RNA)
where:
Base-Base interactions energy: -647.690
where: short stacking energy: -273.860
Base-Backbone interact. energy: 6.684
local terms energy: -307.614500
where:
bonds (distance) C4'-P energy: -76.129
bonds (distance) P-C4' energy: -64.805
flat angles C4'-P-C4' energy: -71.442
flat angles P-C4'-P energy: -34.213
tors. eta vs tors. theta energy: -61.025
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: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -834.283895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.283895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.283895 (E_RNA)
where:
Base-Base interactions energy: -554.689
where: short stacking energy: -229.114
Base-Backbone interact. energy: 0.901
local terms energy: -280.495386
where:
bonds (distance) C4'-P energy: -62.679
bonds (distance) P-C4' energy: -71.340
flat angles C4'-P-C4' energy: -61.611
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -45.532
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: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -677.687354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.687354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.687354 (E_RNA)
where:
Base-Base interactions energy: -421.691
where: short stacking energy: -200.485
Base-Backbone interact. energy: -1.192
local terms energy: -254.804217
where:
bonds (distance) C4'-P energy: -47.117
bonds (distance) P-C4' energy: -78.275
flat angles C4'-P-C4' energy: -50.466
flat angles P-C4'-P energy: -40.453
tors. eta vs tors. theta energy: -38.494
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: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1469.938357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.938357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.938357 (E_RNA)
where:
Base-Base interactions energy: -1046.743
where: short stacking energy: -442.812
Base-Backbone interact. energy: -1.377
local terms energy: -421.817976
where:
bonds (distance) C4'-P energy: -83.613
bonds (distance) P-C4' energy: -77.008
flat angles C4'-P-C4' energy: -84.488
flat angles P-C4'-P energy: -55.515
tors. eta vs tors. theta energy: -121.193
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: 214
Temperature: 0.950000
Total energy: -1346.865887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.865887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.865887 (E_RNA)
where:
Base-Base interactions energy: -943.859
where: short stacking energy: -397.234
Base-Backbone interact. energy: -0.562
local terms energy: -402.445278
where:
bonds (distance) C4'-P energy: -65.271
bonds (distance) P-C4' energy: -76.362
flat angles C4'-P-C4' energy: -85.324
flat angles P-C4'-P energy: -59.070
tors. eta vs tors. theta energy: -116.418
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: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1340.115542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.115542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.115542 (E_RNA)
where:
Base-Base interactions energy: -970.833
where: short stacking energy: -398.714
Base-Backbone interact. energy: -2.665
local terms energy: -366.616804
where:
bonds (distance) C4'-P energy: -73.503
bonds (distance) P-C4' energy: -65.373
flat angles C4'-P-C4' energy: -71.383
flat angles P-C4'-P energy: -51.981
tors. eta vs tors. theta energy: -104.376
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: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1220.610265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.610265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.610265 (E_RNA)
where:
Base-Base interactions energy: -859.848
where: short stacking energy: -359.249
Base-Backbone interact. energy: 4.930
local terms energy: -365.692788
where:
bonds (distance) C4'-P energy: -70.356
bonds (distance) P-C4' energy: -71.275
flat angles C4'-P-C4' energy: -77.398
flat angles P-C4'-P energy: -54.278
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: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1201.584313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.584313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.584313 (E_RNA)
where:
Base-Base interactions energy: -847.638
where: short stacking energy: -337.962
Base-Backbone interact. energy: -0.820
local terms energy: -353.125877
where:
bonds (distance) C4'-P energy: -65.778
bonds (distance) P-C4' energy: -62.697
flat angles C4'-P-C4' energy: -84.451
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -91.675
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: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1082.663344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.663344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.663344 (E_RNA)
where:
Base-Base interactions energy: -738.550
where: short stacking energy: -309.807
Base-Backbone interact. energy: 2.387
local terms energy: -346.500462
where:
bonds (distance) C4'-P energy: -66.342
bonds (distance) P-C4' energy: -80.558
flat angles C4'-P-C4' energy: -67.422
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: -86.802
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: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1081.325049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.325049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.325049 (E_RNA)
where:
Base-Base interactions energy: -741.984
where: short stacking energy: -328.379
Base-Backbone interact. energy: -2.658
local terms energy: -336.683244
where:
bonds (distance) C4'-P energy: -58.792
bonds (distance) P-C4' energy: -69.525
flat angles C4'-P-C4' energy: -73.606
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -86.960
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: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -928.233058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.233058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.233058 (E_RNA)
where:
Base-Base interactions energy: -615.603
where: short stacking energy: -247.030
Base-Backbone interact. energy: -1.526
local terms energy: -311.104240
where:
bonds (distance) C4'-P energy: -70.819
bonds (distance) P-C4' energy: -64.423
flat angles C4'-P-C4' energy: -73.939
flat angles P-C4'-P energy: -43.975
tors. eta vs tors. theta energy: -57.949
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: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -790.208664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.208664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.208664 (E_RNA)
where:
Base-Base interactions energy: -524.655
where: short stacking energy: -230.375
Base-Backbone interact. energy: -0.540
local terms energy: -265.012749
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -56.025
flat angles C4'-P-C4' energy: -65.453
flat angles P-C4'-P energy: -35.731
tors. eta vs tors. theta energy: -54.715
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: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -692.281318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.281318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.281318 (E_RNA)
where:
Base-Base interactions energy: -467.359
where: short stacking energy: -185.909
Base-Backbone interact. energy: 2.285
local terms energy: -227.206488
where:
bonds (distance) C4'-P energy: -57.270
bonds (distance) P-C4' energy: -53.893
flat angles C4'-P-C4' energy: -49.779
flat angles P-C4'-P energy: -40.185
tors. eta vs tors. theta energy: -26.080
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: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1459.498477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.498477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.498477 (E_RNA)
where:
Base-Base interactions energy: -1045.053
where: short stacking energy: -436.504
Base-Backbone interact. energy: -0.967
local terms energy: -413.478271
where:
bonds (distance) C4'-P energy: -72.318
bonds (distance) P-C4' energy: -76.894
flat angles C4'-P-C4' energy: -81.964
flat angles P-C4'-P energy: -59.697
tors. eta vs tors. theta energy: -122.605
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: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1347.176461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.176461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.176461 (E_RNA)
where:
Base-Base interactions energy: -966.913
where: short stacking energy: -390.551
Base-Backbone interact. energy: -0.506
local terms energy: -379.756843
where:
bonds (distance) C4'-P energy: -65.825
bonds (distance) P-C4' energy: -65.633
flat angles C4'-P-C4' energy: -87.604
flat angles P-C4'-P energy: -56.447
tors. eta vs tors. theta energy: -104.248
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: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1303.917608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.917608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.917608 (E_RNA)
where:
Base-Base interactions energy: -923.826
where: short stacking energy: -389.468
Base-Backbone interact. energy: -0.800
local terms energy: -379.290919
where:
bonds (distance) C4'-P energy: -73.810
bonds (distance) P-C4' energy: -70.358
flat angles C4'-P-C4' energy: -78.446
flat angles P-C4'-P energy: -50.386
tors. eta vs tors. theta energy: -106.291
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: 215
Temperature: 1.050000
Total energy: -1243.384495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.384495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.384495 (E_RNA)
where:
Base-Base interactions energy: -870.542
where: short stacking energy: -355.052
Base-Backbone interact. energy: -2.673
local terms energy: -370.169300
where:
bonds (distance) C4'-P energy: -60.909
bonds (distance) P-C4' energy: -75.215
flat angles C4'-P-C4' energy: -79.133
flat angles P-C4'-P energy: -62.228
tors. eta vs tors. theta energy: -92.684
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: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1184.890313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.890313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.890313 (E_RNA)
where:
Base-Base interactions energy: -846.221
where: short stacking energy: -353.185
Base-Backbone interact. energy: 4.373
local terms energy: -343.042416
where:
bonds (distance) C4'-P energy: -63.513
bonds (distance) P-C4' energy: -69.580
flat angles C4'-P-C4' energy: -68.435
flat angles P-C4'-P energy: -44.731
tors. eta vs tors. theta energy: -96.785
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: 215
Temperature: 1.150000
Total energy: -1097.610517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.610517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.610517 (E_RNA)
where:
Base-Base interactions energy: -765.760
where: short stacking energy: -315.486
Base-Backbone interact. energy: -0.003
local terms energy: -331.847780
where:
bonds (distance) C4'-P energy: -69.184
bonds (distance) P-C4' energy: -64.537
flat angles C4'-P-C4' energy: -67.029
flat angles P-C4'-P energy: -52.617
tors. eta vs tors. theta energy: -78.482
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: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1047.160209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.160209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.160209 (E_RNA)
where:
Base-Base interactions energy: -705.045
where: short stacking energy: -302.456
Base-Backbone interact. energy: 0.168
local terms energy: -342.283492
where:
bonds (distance) C4'-P energy: -69.475
bonds (distance) P-C4' energy: -70.045
flat angles C4'-P-C4' energy: -72.404
flat angles P-C4'-P energy: -57.467
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: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -963.708543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.708543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.708543 (E_RNA)
where:
Base-Base interactions energy: -680.307
where: short stacking energy: -264.732
Base-Backbone interact. energy: -1.854
local terms energy: -281.547321
where:
bonds (distance) C4'-P energy: -64.871
bonds (distance) P-C4' energy: -61.287
flat angles C4'-P-C4' energy: -66.235
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -57.610
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: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -779.358920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.358920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.358920 (E_RNA)
where:
Base-Base interactions energy: -518.758
where: short stacking energy: -238.014
Base-Backbone interact. energy: -0.596
local terms energy: -260.004760
where:
bonds (distance) C4'-P energy: -59.340
bonds (distance) P-C4' energy: -67.530
flat angles C4'-P-C4' energy: -52.478
flat angles P-C4'-P energy: -32.750
tors. eta vs tors. theta energy: -47.906
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: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -731.562819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.562819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.562819 (E_RNA)
where:
Base-Base interactions energy: -478.356
where: short stacking energy: -195.352
Base-Backbone interact. energy: 2.520
local terms energy: -255.727064
where:
bonds (distance) C4'-P energy: -51.472
bonds (distance) P-C4' energy: -65.364
flat angles C4'-P-C4' energy: -65.252
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -36.902
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: 216
Temperature: 0.900000
Total energy: -1479.505336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.505336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.505336 (E_RNA)
where:
Base-Base interactions energy: -1055.644
where: short stacking energy: -437.183
Base-Backbone interact. energy: -1.892
local terms energy: -421.968863
where:
bonds (distance) C4'-P energy: -71.972
bonds (distance) P-C4' energy: -79.858
flat angles C4'-P-C4' energy: -85.571
flat angles P-C4'-P energy: -67.848
tors. eta vs tors. theta energy: -116.720
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: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1346.079824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.079824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.079824 (E_RNA)
where:
Base-Base interactions energy: -947.134
where: short stacking energy: -389.242
Base-Backbone interact. energy: -2.381
local terms energy: -396.564671
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -68.949
flat angles C4'-P-C4' energy: -86.946
flat angles P-C4'-P energy: -58.045
tors. eta vs tors. theta energy: -110.198
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: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1289.306818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.306818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.306818 (E_RNA)
where:
Base-Base interactions energy: -902.760
where: short stacking energy: -398.182
Base-Backbone interact. energy: -1.479
local terms energy: -385.067685
where:
bonds (distance) C4'-P energy: -69.427
bonds (distance) P-C4' energy: -64.447
flat angles C4'-P-C4' energy: -85.453
flat angles P-C4'-P energy: -59.966
tors. eta vs tors. theta energy: -105.774
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: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1293.921678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.921678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.921678 (E_RNA)
where:
Base-Base interactions energy: -897.824
where: short stacking energy: -384.621
Base-Backbone interact. energy: -1.768
local terms energy: -394.329244
where:
bonds (distance) C4'-P energy: -71.848
bonds (distance) P-C4' energy: -75.687
flat angles C4'-P-C4' energy: -85.063
flat angles P-C4'-P energy: -55.994
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: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1176.904689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.904689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.904689 (E_RNA)
where:
Base-Base interactions energy: -815.297
where: short stacking energy: -335.237
Base-Backbone interact. energy: 3.558
local terms energy: -365.165374
where:
bonds (distance) C4'-P energy: -62.617
bonds (distance) P-C4' energy: -80.143
flat angles C4'-P-C4' energy: -80.382
flat angles P-C4'-P energy: -49.106
tors. eta vs tors. theta energy: -92.917
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: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1069.374406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.374406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.374406 (E_RNA)
where:
Base-Base interactions energy: -735.752
where: short stacking energy: -305.530
Base-Backbone interact. energy: -0.358
local terms energy: -333.264184
where:
bonds (distance) C4'-P energy: -69.838
bonds (distance) P-C4' energy: -59.064
flat angles C4'-P-C4' energy: -74.261
flat angles P-C4'-P energy: -45.522
tors. eta vs tors. theta energy: -84.580
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: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1061.534350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.534350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.534350 (E_RNA)
where:
Base-Base interactions energy: -749.787
where: short stacking energy: -329.242
Base-Backbone interact. energy: -0.213
local terms energy: -311.534491
where:
bonds (distance) C4'-P energy: -63.579
bonds (distance) P-C4' energy: -59.218
flat angles C4'-P-C4' energy: -70.318
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -80.170
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: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -961.286363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.286363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.286363 (E_RNA)
where:
Base-Base interactions energy: -667.151
where: short stacking energy: -281.710
Base-Backbone interact. energy: 1.390
local terms energy: -295.525259
where:
bonds (distance) C4'-P energy: -57.598
bonds (distance) P-C4' energy: -61.468
flat angles C4'-P-C4' energy: -58.148
flat angles P-C4'-P energy: -43.703
tors. eta vs tors. theta energy: -74.608
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: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -787.919470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.919470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.919470 (E_RNA)
where:
Base-Base interactions energy: -525.870
where: short stacking energy: -225.037
Base-Backbone interact. energy: -1.160
local terms energy: -260.889143
where:
bonds (distance) C4'-P energy: -56.941
bonds (distance) P-C4' energy: -66.972
flat angles C4'-P-C4' energy: -46.961
flat angles P-C4'-P energy: -45.493
tors. eta vs tors. theta energy: -44.522
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: 216
Temperature: 1.350000
Total energy: -671.246336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.246336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.246336 (E_RNA)
where:
Base-Base interactions energy: -410.391
where: short stacking energy: -194.913
Base-Backbone interact. energy: -1.833
local terms energy: -259.021868
where:
bonds (distance) C4'-P energy: -69.366
bonds (distance) P-C4' energy: -69.559
flat angles C4'-P-C4' energy: -58.713
flat angles P-C4'-P energy: -40.361
tors. eta vs tors. theta energy: -21.023
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: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1473.943749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.943749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.943749 (E_RNA)
where:
Base-Base interactions energy: -1051.937
where: short stacking energy: -441.014
Base-Backbone interact. energy: -0.784
local terms energy: -421.222756
where:
bonds (distance) C4'-P energy: -66.910
bonds (distance) P-C4' energy: -79.815
flat angles C4'-P-C4' energy: -92.577
flat angles P-C4'-P energy: -61.817
tors. eta vs tors. theta energy: -120.104
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: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1343.206510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.206510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.206510 (E_RNA)
where:
Base-Base interactions energy: -955.559
where: short stacking energy: -386.494
Base-Backbone interact. energy: 0.554
local terms energy: -388.201544
where:
bonds (distance) C4'-P energy: -65.561
bonds (distance) P-C4' energy: -71.684
flat angles C4'-P-C4' energy: -81.574
flat angles P-C4'-P energy: -62.769
tors. eta vs tors. theta energy: -106.615
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: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1288.909184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.909184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.909184 (E_RNA)
where:
Base-Base interactions energy: -905.566
where: short stacking energy: -392.047
Base-Backbone interact. energy: 0.851
local terms energy: -384.193686
where:
bonds (distance) C4'-P energy: -64.388
bonds (distance) P-C4' energy: -74.314
flat angles C4'-P-C4' energy: -85.047
flat angles P-C4'-P energy: -54.392
tors. eta vs tors. theta energy: -106.052
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: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1303.792669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.792669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.792669 (E_RNA)
where:
Base-Base interactions energy: -901.707
where: short stacking energy: -385.600
Base-Backbone interact. energy: -1.358
local terms energy: -400.727633
where:
bonds (distance) C4'-P energy: -60.294
bonds (distance) P-C4' energy: -77.768
flat angles C4'-P-C4' energy: -84.255
flat angles P-C4'-P energy: -63.755
tors. eta vs tors. theta energy: -114.656
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: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1187.339626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.339626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.339626 (E_RNA)
where:
Base-Base interactions energy: -832.462
where: short stacking energy: -331.353
Base-Backbone interact. energy: 2.149
local terms energy: -357.027196
where:
bonds (distance) C4'-P energy: -70.842
bonds (distance) P-C4' energy: -73.433
flat angles C4'-P-C4' energy: -75.639
flat angles P-C4'-P energy: -42.307
tors. eta vs tors. theta energy: -94.806
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: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1065.933122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.933122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.933122 (E_RNA)
where:
Base-Base interactions energy: -731.129
where: short stacking energy: -306.685
Base-Backbone interact. energy: -1.400
local terms energy: -333.404038
where:
bonds (distance) C4'-P energy: -66.546
bonds (distance) P-C4' energy: -63.894
flat angles C4'-P-C4' energy: -76.489
flat angles P-C4'-P energy: -51.484
tors. eta vs tors. theta energy: -74.991
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: 7, replica: 2
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1027.052740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.052740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.052740 (E_RNA)
where:
Base-Base interactions energy: -715.170
where: short stacking energy: -293.109
Base-Backbone interact. energy: -0.392
local terms energy: -311.490664
where:
bonds (distance) C4'-P energy: -65.244
bonds (distance) P-C4' energy: -58.670
flat angles C4'-P-C4' energy: -68.524
flat angles P-C4'-P energy: -42.790
tors. eta vs tors. theta energy: -76.263
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: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -936.436753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.436753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.436753 (E_RNA)
where:
Base-Base interactions energy: -654.542
where: short stacking energy: -255.413
Base-Backbone interact. energy: 0.932
local terms energy: -282.826428
where:
bonds (distance) C4'-P energy: -67.696
bonds (distance) P-C4' energy: -54.476
flat angles C4'-P-C4' energy: -66.523
flat angles P-C4'-P energy: -45.085
tors. eta vs tors. theta energy: -49.046
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: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -912.272087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.272087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.272087 (E_RNA)
where:
Base-Base interactions energy: -630.160
where: short stacking energy: -269.680
Base-Backbone interact. energy: 0.850
local terms energy: -282.962353
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -70.741
flat angles C4'-P-C4' energy: -61.148
flat angles P-C4'-P energy: -36.083
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: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -679.851078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.851078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.851078 (E_RNA)
where:
Base-Base interactions energy: -419.195
where: short stacking energy: -191.950
Base-Backbone interact. energy: 0.658
local terms energy: -261.314109
where:
bonds (distance) C4'-P energy: -66.462
bonds (distance) P-C4' energy: -66.971
flat angles C4'-P-C4' energy: -62.782
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: -27.162
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: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1458.067305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.067305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.067305 (E_RNA)
where:
Base-Base interactions energy: -1063.107
where: short stacking energy: -416.101
Base-Backbone interact. energy: -0.553
local terms energy: -394.406636
where:
bonds (distance) C4'-P energy: -72.833
bonds (distance) P-C4' energy: -68.526
flat angles C4'-P-C4' energy: -83.775
flat angles P-C4'-P energy: -53.275
tors. eta vs tors. theta energy: -115.997
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: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1348.894521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.894521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.894521 (E_RNA)
where:
Base-Base interactions energy: -946.176
where: short stacking energy: -391.964
Base-Backbone interact. energy: -2.223
local terms energy: -400.495783
where:
bonds (distance) C4'-P energy: -68.721
bonds (distance) P-C4' energy: -74.247
flat angles C4'-P-C4' energy: -82.757
flat angles P-C4'-P energy: -63.300
tors. eta vs tors. theta energy: -111.470
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: 3, replica: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1321.034942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.034942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.034942 (E_RNA)
where:
Base-Base interactions energy: -916.989
where: short stacking energy: -393.076
Base-Backbone interact. energy: 0.204
local terms energy: -404.250164
where:
bonds (distance) C4'-P energy: -76.029
bonds (distance) P-C4' energy: -68.844
flat angles C4'-P-C4' energy: -84.090
flat angles P-C4'-P energy: -57.851
tors. eta vs tors. theta energy: -117.436
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: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1237.579218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.579218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.579218 (E_RNA)
where:
Base-Base interactions energy: -889.713
where: short stacking energy: -385.378
Base-Backbone interact. energy: -0.228
local terms energy: -347.637981
where:
bonds (distance) C4'-P energy: -60.137
bonds (distance) P-C4' energy: -69.033
flat angles C4'-P-C4' energy: -70.066
flat angles P-C4'-P energy: -47.644
tors. eta vs tors. theta energy: -100.758
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: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1184.821607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.821607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.821607 (E_RNA)
where:
Base-Base interactions energy: -851.604
where: short stacking energy: -368.716
Base-Backbone interact. energy: 3.228
local terms energy: -336.445047
where:
bonds (distance) C4'-P energy: -61.653
bonds (distance) P-C4' energy: -63.297
flat angles C4'-P-C4' energy: -70.266
flat angles P-C4'-P energy: -44.179
tors. eta vs tors. theta energy: -97.050
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: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1101.200653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.200653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.200653 (E_RNA)
where:
Base-Base interactions energy: -766.276
where: short stacking energy: -339.689
Base-Backbone interact. energy: 1.495
local terms energy: -336.419761
where:
bonds (distance) C4'-P energy: -58.592
bonds (distance) P-C4' energy: -69.280
flat angles C4'-P-C4' energy: -77.356
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -88.002
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: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1055.827087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.827087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.827087 (E_RNA)
where:
Base-Base interactions energy: -725.462
where: short stacking energy: -301.256
Base-Backbone interact. energy: -1.583
local terms energy: -328.781870
where:
bonds (distance) C4'-P energy: -69.815
bonds (distance) P-C4' energy: -62.061
flat angles C4'-P-C4' energy: -81.507
flat angles P-C4'-P energy: -34.164
tors. eta vs tors. theta energy: -81.235
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: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -922.277856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.277856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.277856 (E_RNA)
where:
Base-Base interactions energy: -647.264
where: short stacking energy: -264.676
Base-Backbone interact. energy: -1.169
local terms energy: -273.844260
where:
bonds (distance) C4'-P energy: -56.175
bonds (distance) P-C4' energy: -54.434
flat angles C4'-P-C4' energy: -69.891
flat angles P-C4'-P energy: -34.039
tors. eta vs tors. theta energy: -59.306
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: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -925.893726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.893726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.893726 (E_RNA)
where:
Base-Base interactions energy: -640.278
where: short stacking energy: -272.206
Base-Backbone interact. energy: 3.638
local terms energy: -289.253155
where:
bonds (distance) C4'-P energy: -71.585
bonds (distance) P-C4' energy: -59.586
flat angles C4'-P-C4' energy: -52.743
flat angles P-C4'-P energy: -46.406
tors. eta vs tors. theta energy: -58.933
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: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -728.801676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.801676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.801676 (E_RNA)
where:
Base-Base interactions energy: -485.173
where: short stacking energy: -226.511
Base-Backbone interact. energy: 1.897
local terms energy: -245.525504
where:
bonds (distance) C4'-P energy: -66.224
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -49.720
flat angles P-C4'-P energy: -29.314
tors. eta vs tors. theta energy: -37.169
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: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1457.849868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.849868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.849868 (E_RNA)
where:
Base-Base interactions energy: -1046.532
where: short stacking energy: -426.646
Base-Backbone interact. energy: 0.379
local terms energy: -411.697210
where:
bonds (distance) C4'-P energy: -71.870
bonds (distance) P-C4' energy: -80.919
flat angles C4'-P-C4' energy: -81.486
flat angles P-C4'-P energy: -55.870
tors. eta vs tors. theta energy: -121.553
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: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1368.999408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.999408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.999408 (E_RNA)
where:
Base-Base interactions energy: -961.601
where: short stacking energy: -399.888
Base-Backbone interact. energy: -1.796
local terms energy: -405.602709
where:
bonds (distance) C4'-P energy: -68.674
bonds (distance) P-C4' energy: -78.703
flat angles C4'-P-C4' energy: -83.964
flat angles P-C4'-P energy: -57.788
tors. eta vs tors. theta energy: -116.473
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: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1311.955148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.955148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.955148 (E_RNA)
where:
Base-Base interactions energy: -924.118
where: short stacking energy: -380.108
Base-Backbone interact. energy: -1.771
local terms energy: -386.066283
where:
bonds (distance) C4'-P energy: -68.071
bonds (distance) P-C4' energy: -71.516
flat angles C4'-P-C4' energy: -86.556
flat angles P-C4'-P energy: -54.437
tors. eta vs tors. theta energy: -105.486
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: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1245.424961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.424961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.424961 (E_RNA)
where:
Base-Base interactions energy: -878.333
where: short stacking energy: -360.231
Base-Backbone interact. energy: -1.684
local terms energy: -365.408524
where:
bonds (distance) C4'-P energy: -66.876
bonds (distance) P-C4' energy: -70.176
flat angles C4'-P-C4' energy: -64.131
flat angles P-C4'-P energy: -56.155
tors. eta vs tors. theta energy: -108.070
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: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1186.657004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.657004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.657004 (E_RNA)
where:
Base-Base interactions energy: -836.185
where: short stacking energy: -341.059
Base-Backbone interact. energy: 6.720
local terms energy: -357.191592
where:
bonds (distance) C4'-P energy: -65.912
bonds (distance) P-C4' energy: -67.953
flat angles C4'-P-C4' energy: -77.426
flat angles P-C4'-P energy: -45.884
tors. eta vs tors. theta energy: -100.017
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: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1125.862975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.862975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.862975 (E_RNA)
where:
Base-Base interactions energy: -798.687
where: short stacking energy: -351.209
Base-Backbone interact. energy: -0.867
local terms energy: -326.309479
where:
bonds (distance) C4'-P energy: -55.444
bonds (distance) P-C4' energy: -67.724
flat angles C4'-P-C4' energy: -71.044
flat angles P-C4'-P energy: -39.113
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: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1063.358232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.358232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.358232 (E_RNA)
where:
Base-Base interactions energy: -717.956
where: short stacking energy: -295.317
Base-Backbone interact. energy: -1.466
local terms energy: -343.936405
where:
bonds (distance) C4'-P energy: -79.124
bonds (distance) P-C4' energy: -65.163
flat angles C4'-P-C4' energy: -74.440
flat angles P-C4'-P energy: -48.057
tors. eta vs tors. theta energy: -77.153
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: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -959.798674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.798674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.798674 (E_RNA)
where:
Base-Base interactions energy: -643.513
where: short stacking energy: -276.098
Base-Backbone interact. energy: 1.628
local terms energy: -317.913979
where:
bonds (distance) C4'-P energy: -58.168
bonds (distance) P-C4' energy: -71.246
flat angles C4'-P-C4' energy: -63.847
flat angles P-C4'-P energy: -52.086
tors. eta vs tors. theta energy: -72.567
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: 219
Temperature: 1.300000
Total energy: -839.735206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.735206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.735206 (E_RNA)
where:
Base-Base interactions energy: -561.639
where: short stacking energy: -228.604
Base-Backbone interact. energy: 0.521
local terms energy: -278.617605
where:
bonds (distance) C4'-P energy: -69.804
bonds (distance) P-C4' energy: -67.715
flat angles C4'-P-C4' energy: -68.056
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -44.276
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: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -684.164727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.164727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.164727 (E_RNA)
where:
Base-Base interactions energy: -434.857
where: short stacking energy: -194.377
Base-Backbone interact. energy: -2.405
local terms energy: -246.902517
where:
bonds (distance) C4'-P energy: -50.015
bonds (distance) P-C4' energy: -73.221
flat angles C4'-P-C4' energy: -69.056
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -33.927
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: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1468.554238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.554238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.554238 (E_RNA)
where:
Base-Base interactions energy: -1048.343
where: short stacking energy: -434.311
Base-Backbone interact. energy: 0.449
local terms energy: -420.660449
where:
bonds (distance) C4'-P energy: -76.230
bonds (distance) P-C4' energy: -72.424
flat angles C4'-P-C4' energy: -94.658
flat angles P-C4'-P energy: -55.885
tors. eta vs tors. theta energy: -121.463
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: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1380.509028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.509028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.509028 (E_RNA)
where:
Base-Base interactions energy: -991.414
where: short stacking energy: -394.272
Base-Backbone interact. energy: -4.720
local terms energy: -384.374893
where:
bonds (distance) C4'-P energy: -72.260
bonds (distance) P-C4' energy: -73.303
flat angles C4'-P-C4' energy: -77.210
flat angles P-C4'-P energy: -50.558
tors. eta vs tors. theta energy: -111.044
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: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1270.148064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.148064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.148064 (E_RNA)
where:
Base-Base interactions energy: -901.993
where: short stacking energy: -377.368
Base-Backbone interact. energy: 1.248
local terms energy: -369.403334
where:
bonds (distance) C4'-P energy: -58.510
bonds (distance) P-C4' energy: -71.414
flat angles C4'-P-C4' energy: -74.399
flat angles P-C4'-P energy: -58.654
tors. eta vs tors. theta energy: -106.426
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: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1284.170640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.170640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.170640 (E_RNA)
where:
Base-Base interactions energy: -893.015
where: short stacking energy: -382.440
Base-Backbone interact. energy: -0.611
local terms energy: -390.544591
where:
bonds (distance) C4'-P energy: -72.151
bonds (distance) P-C4' energy: -76.878
flat angles C4'-P-C4' energy: -81.122
flat angles P-C4'-P energy: -48.211
tors. eta vs tors. theta energy: -112.184
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: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1180.184476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.184476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.184476 (E_RNA)
where:
Base-Base interactions energy: -822.334
where: short stacking energy: -341.041
Base-Backbone interact. energy: 3.948
local terms energy: -361.798909
where:
bonds (distance) C4'-P energy: -60.127
bonds (distance) P-C4' energy: -64.043
flat angles C4'-P-C4' energy: -75.553
flat angles P-C4'-P energy: -60.661
tors. eta vs tors. theta energy: -101.414
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: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1106.205058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.205058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.205058 (E_RNA)
where:
Base-Base interactions energy: -778.784
where: short stacking energy: -329.474
Base-Backbone interact. energy: -0.900
local terms energy: -326.520087
where:
bonds (distance) C4'-P energy: -64.961
bonds (distance) P-C4' energy: -58.168
flat angles C4'-P-C4' energy: -80.199
flat angles P-C4'-P energy: -44.161
tors. eta vs tors. theta energy: -79.030
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: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1027.996938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.996938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.996938 (E_RNA)
where:
Base-Base interactions energy: -687.959
where: short stacking energy: -297.042
Base-Backbone interact. energy: 1.035
local terms energy: -341.072437
where:
bonds (distance) C4'-P energy: -70.063
bonds (distance) P-C4' energy: -63.437
flat angles C4'-P-C4' energy: -81.079
flat angles P-C4'-P energy: -50.882
tors. eta vs tors. theta energy: -75.612
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: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -996.636843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.636843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.636843 (E_RNA)
where:
Base-Base interactions energy: -697.743
where: short stacking energy: -302.167
Base-Backbone interact. energy: 0.260
local terms energy: -299.153265
where:
bonds (distance) C4'-P energy: -61.836
bonds (distance) P-C4' energy: -58.244
flat angles C4'-P-C4' energy: -56.876
flat angles P-C4'-P energy: -45.301
tors. eta vs tors. theta energy: -76.895
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: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -857.977546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.977546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.977546 (E_RNA)
where:
Base-Base interactions energy: -589.097
where: short stacking energy: -239.452
Base-Backbone interact. energy: -0.176
local terms energy: -268.704962
where:
bonds (distance) C4'-P energy: -66.260
bonds (distance) P-C4' energy: -66.746
flat angles C4'-P-C4' energy: -58.588
flat angles P-C4'-P energy: -34.313
tors. eta vs tors. theta energy: -42.798
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: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -634.393614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.393614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.393614 (E_RNA)
where:
Base-Base interactions energy: -386.061
where: short stacking energy: -171.383
Base-Backbone interact. energy: -0.640
local terms energy: -247.692713
where:
bonds (distance) C4'-P energy: -64.089
bonds (distance) P-C4' energy: -66.089
flat angles C4'-P-C4' energy: -64.178
flat angles P-C4'-P energy: -32.771
tors. eta vs tors. theta energy: -20.565
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: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1456.484912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.484912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.484912 (E_RNA)
where:
Base-Base interactions energy: -1043.913
where: short stacking energy: -420.450
Base-Backbone interact. energy: -1.502
local terms energy: -411.069465
where:
bonds (distance) C4'-P energy: -82.347
bonds (distance) P-C4' energy: -74.029
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -63.507
tors. eta vs tors. theta energy: -114.684
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: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1366.518359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.518359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.518359 (E_RNA)
where:
Base-Base interactions energy: -959.650
where: short stacking energy: -395.728
Base-Backbone interact. energy: -0.699
local terms energy: -406.169440
where:
bonds (distance) C4'-P energy: -61.770
bonds (distance) P-C4' energy: -77.233
flat angles C4'-P-C4' energy: -88.573
flat angles P-C4'-P energy: -62.623
tors. eta vs tors. theta energy: -115.970
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: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1290.154792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.154792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.154792 (E_RNA)
where:
Base-Base interactions energy: -890.301
where: short stacking energy: -380.254
Base-Backbone interact. energy: -2.857
local terms energy: -396.996762
where:
bonds (distance) C4'-P energy: -75.540
bonds (distance) P-C4' energy: -76.827
flat angles C4'-P-C4' energy: -79.131
flat angles P-C4'-P energy: -55.172
tors. eta vs tors. theta energy: -110.327
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: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1306.461220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.461220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.461220 (E_RNA)
where:
Base-Base interactions energy: -934.189
where: short stacking energy: -390.534
Base-Backbone interact. energy: 1.465
local terms energy: -373.737274
where:
bonds (distance) C4'-P energy: -68.281
bonds (distance) P-C4' energy: -68.574
flat angles C4'-P-C4' energy: -76.468
flat angles P-C4'-P energy: -50.820
tors. eta vs tors. theta energy: -109.593
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: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1190.504854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.504854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.504854 (E_RNA)
where:
Base-Base interactions energy: -827.160
where: short stacking energy: -344.514
Base-Backbone interact. energy: 3.198
local terms energy: -366.542304
where:
bonds (distance) C4'-P energy: -66.401
bonds (distance) P-C4' energy: -79.036
flat angles C4'-P-C4' energy: -81.861
flat angles P-C4'-P energy: -50.044
tors. eta vs tors. theta energy: -89.201
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: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1129.147573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.147573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.147573 (E_RNA)
where:
Base-Base interactions energy: -793.570
where: short stacking energy: -334.186
Base-Backbone interact. energy: 0.513
local terms energy: -336.090362
where:
bonds (distance) C4'-P energy: -56.438
bonds (distance) P-C4' energy: -62.611
flat angles C4'-P-C4' energy: -79.888
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -89.983
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: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -989.110247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.110247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.110247 (E_RNA)
where:
Base-Base interactions energy: -670.309
where: short stacking energy: -305.973
Base-Backbone interact. energy: 0.272
local terms energy: -319.072667
where:
bonds (distance) C4'-P energy: -62.774
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -77.402
flat angles P-C4'-P energy: -42.179
tors. eta vs tors. theta energy: -75.376
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: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1053.788237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.788237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.788237 (E_RNA)
where:
Base-Base interactions energy: -720.632
where: short stacking energy: -303.400
Base-Backbone interact. energy: 0.667
local terms energy: -333.822810
where:
bonds (distance) C4'-P energy: -61.502
bonds (distance) P-C4' energy: -76.243
flat angles C4'-P-C4' energy: -61.805
flat angles P-C4'-P energy: -53.713
tors. eta vs tors. theta energy: -80.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -891.482085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.482085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.482085 (E_RNA)
where:
Base-Base interactions energy: -608.272
where: short stacking energy: -259.707
Base-Backbone interact. energy: -2.099
local terms energy: -281.111423
where:
bonds (distance) C4'-P energy: -56.770
bonds (distance) P-C4' energy: -64.621
flat angles C4'-P-C4' energy: -62.555
flat angles P-C4'-P energy: -36.852
tors. eta vs tors. theta energy: -60.315
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: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -631.496659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.496659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.496659 (E_RNA)
where:
Base-Base interactions energy: -396.979
where: short stacking energy: -203.043
Base-Backbone interact. energy: 7.906
local terms energy: -242.423978
where:
bonds (distance) C4'-P energy: -56.137
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -67.343
flat angles P-C4'-P energy: -34.567
tors. eta vs tors. theta energy: -28.299
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: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1456.699309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.699309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.699309 (E_RNA)
where:
Base-Base interactions energy: -1047.323
where: short stacking energy: -425.395
Base-Backbone interact. energy: -0.209
local terms energy: -409.167183
where:
bonds (distance) C4'-P energy: -83.585
bonds (distance) P-C4' energy: -72.927
flat angles C4'-P-C4' energy: -84.761
flat angles P-C4'-P energy: -55.304
tors. eta vs tors. theta energy: -112.589
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: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1367.258010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.258010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.258010 (E_RNA)
where:
Base-Base interactions energy: -966.608
where: short stacking energy: -389.725
Base-Backbone interact. energy: 2.478
local terms energy: -403.127888
where:
bonds (distance) C4'-P energy: -78.115
bonds (distance) P-C4' energy: -74.024
flat angles C4'-P-C4' energy: -80.807
flat angles P-C4'-P energy: -56.470
tors. eta vs tors. theta energy: -113.712
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: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1279.926127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.926127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.926127 (E_RNA)
where:
Base-Base interactions energy: -894.265
where: short stacking energy: -370.144
Base-Backbone interact. energy: -1.391
local terms energy: -384.270206
where:
bonds (distance) C4'-P energy: -66.985
bonds (distance) P-C4' energy: -72.496
flat angles C4'-P-C4' energy: -85.251
flat angles P-C4'-P energy: -60.605
tors. eta vs tors. theta energy: -98.934
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: 222
Temperature: 1.050000
Total energy: -1295.859276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.859276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.859276 (E_RNA)
where:
Base-Base interactions energy: -916.198
where: short stacking energy: -386.951
Base-Backbone interact. energy: -0.650
local terms energy: -379.011161
where:
bonds (distance) C4'-P energy: -65.053
bonds (distance) P-C4' energy: -68.884
flat angles C4'-P-C4' energy: -82.373
flat angles P-C4'-P energy: -58.451
tors. eta vs tors. theta energy: -104.251
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: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1163.091851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.091851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.091851 (E_RNA)
where:
Base-Base interactions energy: -826.299
where: short stacking energy: -331.444
Base-Backbone interact. energy: 6.213
local terms energy: -343.006134
where:
bonds (distance) C4'-P energy: -55.015
bonds (distance) P-C4' energy: -73.954
flat angles C4'-P-C4' energy: -75.292
flat angles P-C4'-P energy: -49.048
tors. eta vs tors. theta energy: -89.698
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: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1123.229375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.229375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.229375 (E_RNA)
where:
Base-Base interactions energy: -789.515
where: short stacking energy: -329.595
Base-Backbone interact. energy: 0.201
local terms energy: -333.915879
where:
bonds (distance) C4'-P energy: -71.370
bonds (distance) P-C4' energy: -60.468
flat angles C4'-P-C4' energy: -71.160
flat angles P-C4'-P energy: -38.515
tors. eta vs tors. theta energy: -92.401
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: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1023.713279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.713279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.713279 (E_RNA)
where:
Base-Base interactions energy: -694.550
where: short stacking energy: -300.887
Base-Backbone interact. energy: -0.973
local terms energy: -328.189696
where:
bonds (distance) C4'-P energy: -61.449
bonds (distance) P-C4' energy: -78.695
flat angles C4'-P-C4' energy: -75.145
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -75.601
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: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -978.540126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.540126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.540126 (E_RNA)
where:
Base-Base interactions energy: -663.282
where: short stacking energy: -304.020
Base-Backbone interact. energy: -0.686
local terms energy: -314.572371
where:
bonds (distance) C4'-P energy: -71.716
bonds (distance) P-C4' energy: -67.202
flat angles C4'-P-C4' energy: -72.192
flat angles P-C4'-P energy: -28.374
tors. eta vs tors. theta energy: -75.088
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: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -905.121436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.121436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.121436 (E_RNA)
where:
Base-Base interactions energy: -591.621
where: short stacking energy: -247.023
Base-Backbone interact. energy: 4.375
local terms energy: -317.875281
where:
bonds (distance) C4'-P energy: -63.174
bonds (distance) P-C4' energy: -71.059
flat angles C4'-P-C4' energy: -70.361
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -69.914
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: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -551.078221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.078221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.078221 (E_RNA)
where:
Base-Base interactions energy: -329.751
where: short stacking energy: -165.558
Base-Backbone interact. energy: 1.308
local terms energy: -222.635241
where:
bonds (distance) C4'-P energy: -63.582
bonds (distance) P-C4' energy: -62.798
flat angles C4'-P-C4' energy: -65.329
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -14.774
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: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1454.939656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.939656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.939656 (E_RNA)
where:
Base-Base interactions energy: -1044.500
where: short stacking energy: -418.779
Base-Backbone interact. energy: -0.542
local terms energy: -409.897656
where:
bonds (distance) C4'-P energy: -75.139
bonds (distance) P-C4' energy: -83.493
flat angles C4'-P-C4' energy: -81.202
flat angles P-C4'-P energy: -56.036
tors. eta vs tors. theta energy: -114.028
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: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1381.852608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.852608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.852608 (E_RNA)
where:
Base-Base interactions energy: -982.078
where: short stacking energy: -406.346
Base-Backbone interact. energy: -5.089
local terms energy: -394.685785
where:
bonds (distance) C4'-P energy: -71.146
bonds (distance) P-C4' energy: -67.633
flat angles C4'-P-C4' energy: -82.797
flat angles P-C4'-P energy: -59.408
tors. eta vs tors. theta energy: -113.701
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: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1284.952748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.952748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.952748 (E_RNA)
where:
Base-Base interactions energy: -904.043
where: short stacking energy: -385.430
Base-Backbone interact. energy: -1.491
local terms energy: -379.419157
where:
bonds (distance) C4'-P energy: -75.640
bonds (distance) P-C4' energy: -68.318
flat angles C4'-P-C4' energy: -78.262
flat angles P-C4'-P energy: -58.954
tors. eta vs tors. theta energy: -98.246
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: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1266.533593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.533593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.533593 (E_RNA)
where:
Base-Base interactions energy: -906.361
where: short stacking energy: -370.360
Base-Backbone interact. energy: -1.043
local terms energy: -359.129587
where:
bonds (distance) C4'-P energy: -61.153
bonds (distance) P-C4' energy: -60.233
flat angles C4'-P-C4' energy: -85.063
flat angles P-C4'-P energy: -48.499
tors. eta vs tors. theta energy: -104.182
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: 223
Temperature: 1.100000
Total energy: -1180.512564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.512564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.512564 (E_RNA)
where:
Base-Base interactions energy: -819.264
where: short stacking energy: -344.380
Base-Backbone interact. energy: -2.737
local terms energy: -358.511139
where:
bonds (distance) C4'-P energy: -67.608
bonds (distance) P-C4' energy: -66.994
flat angles C4'-P-C4' energy: -74.488
flat angles P-C4'-P energy: -47.146
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: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1116.160576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.160576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.160576 (E_RNA)
where:
Base-Base interactions energy: -766.592
where: short stacking energy: -339.110
Base-Backbone interact. energy: -1.054
local terms energy: -348.514893
where:
bonds (distance) C4'-P energy: -60.490
bonds (distance) P-C4' energy: -78.934
flat angles C4'-P-C4' energy: -70.879
flat angles P-C4'-P energy: -51.765
tors. eta vs tors. theta energy: -86.446
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: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1059.027266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.027266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.027266 (E_RNA)
where:
Base-Base interactions energy: -726.304
where: short stacking energy: -309.716
Base-Backbone interact. energy: -0.610
local terms energy: -332.113035
where:
bonds (distance) C4'-P energy: -70.241
bonds (distance) P-C4' energy: -75.938
flat angles C4'-P-C4' energy: -58.138
flat angles P-C4'-P energy: -48.857
tors. eta vs tors. theta energy: -78.938
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: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1015.875396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.875396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.875396 (E_RNA)
where:
Base-Base interactions energy: -696.860
where: short stacking energy: -288.660
Base-Backbone interact. energy: 3.379
local terms energy: -322.395136
where:
bonds (distance) C4'-P energy: -69.372
bonds (distance) P-C4' energy: -71.228
flat angles C4'-P-C4' energy: -67.552
flat angles P-C4'-P energy: -40.517
tors. eta vs tors. theta energy: -73.726
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: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -875.346471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.346471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.346471 (E_RNA)
where:
Base-Base interactions energy: -615.101
where: short stacking energy: -271.921
Base-Backbone interact. energy: -1.305
local terms energy: -258.940202
where:
bonds (distance) C4'-P energy: -45.375
bonds (distance) P-C4' energy: -65.593
flat angles C4'-P-C4' energy: -58.737
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: -58.295
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: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -581.434576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.434576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.434576 (E_RNA)
where:
Base-Base interactions energy: -359.762
where: short stacking energy: -197.268
Base-Backbone interact. energy: -1.349
local terms energy: -220.323158
where:
bonds (distance) C4'-P energy: -55.242
bonds (distance) P-C4' energy: -49.680
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -34.053
tors. eta vs tors. theta energy: -25.291
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: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1456.339149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.339149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.339149 (E_RNA)
where:
Base-Base interactions energy: -1055.654
where: short stacking energy: -440.577
Base-Backbone interact. energy: -0.194
local terms energy: -400.491672
where:
bonds (distance) C4'-P energy: -73.371
bonds (distance) P-C4' energy: -68.054
flat angles C4'-P-C4' energy: -86.711
flat angles P-C4'-P energy: -52.304
tors. eta vs tors. theta energy: -120.051
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: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1367.884899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.884899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.884899 (E_RNA)
where:
Base-Base interactions energy: -971.849
where: short stacking energy: -414.343
Base-Backbone interact. energy: -1.877
local terms energy: -394.159008
where:
bonds (distance) C4'-P energy: -74.262
bonds (distance) P-C4' energy: -72.539
flat angles C4'-P-C4' energy: -82.433
flat angles P-C4'-P energy: -57.652
tors. eta vs tors. theta energy: -107.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1315.854697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.854697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.854697 (E_RNA)
where:
Base-Base interactions energy: -913.070
where: short stacking energy: -384.617
Base-Backbone interact. energy: -0.964
local terms energy: -401.820205
where:
bonds (distance) C4'-P energy: -79.833
bonds (distance) P-C4' energy: -85.496
flat angles C4'-P-C4' energy: -76.471
flat angles P-C4'-P energy: -48.308
tors. eta vs tors. theta energy: -111.712
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: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1241.881915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.881915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.881915 (E_RNA)
where:
Base-Base interactions energy: -875.084
where: short stacking energy: -355.369
Base-Backbone interact. energy: 0.481
local terms energy: -367.279484
where:
bonds (distance) C4'-P energy: -75.910
bonds (distance) P-C4' energy: -68.035
flat angles C4'-P-C4' energy: -70.770
flat angles P-C4'-P energy: -49.981
tors. eta vs tors. theta energy: -102.583
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: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1202.469163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.469163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.469163 (E_RNA)
where:
Base-Base interactions energy: -836.514
where: short stacking energy: -345.359
Base-Backbone interact. energy: -1.544
local terms energy: -364.411303
where:
bonds (distance) C4'-P energy: -63.900
bonds (distance) P-C4' energy: -63.829
flat angles C4'-P-C4' energy: -74.499
flat angles P-C4'-P energy: -52.984
tors. eta vs tors. theta energy: -109.200
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: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1100.446396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.446396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.446396 (E_RNA)
where:
Base-Base interactions energy: -759.416
where: short stacking energy: -324.085
Base-Backbone interact. energy: -2.226
local terms energy: -338.804569
where:
bonds (distance) C4'-P energy: -68.735
bonds (distance) P-C4' energy: -76.168
flat angles C4'-P-C4' energy: -72.969
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: -80.264
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: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -999.881532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.881532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.881532 (E_RNA)
where:
Base-Base interactions energy: -683.607
where: short stacking energy: -295.038
Base-Backbone interact. energy: 0.731
local terms energy: -317.005808
where:
bonds (distance) C4'-P energy: -55.795
bonds (distance) P-C4' energy: -55.942
flat angles C4'-P-C4' energy: -76.370
flat angles P-C4'-P energy: -47.287
tors. eta vs tors. theta energy: -81.612
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: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1026.086564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.086564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.086564 (E_RNA)
where:
Base-Base interactions energy: -710.969
where: short stacking energy: -286.141
Base-Backbone interact. energy: -1.014
local terms energy: -314.102891
where:
bonds (distance) C4'-P energy: -63.724
bonds (distance) P-C4' energy: -58.879
flat angles C4'-P-C4' energy: -70.651
flat angles P-C4'-P energy: -41.689
tors. eta vs tors. theta energy: -79.160
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: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -843.720394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.720394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.720394 (E_RNA)
where:
Base-Base interactions energy: -570.350
where: short stacking energy: -237.224
Base-Backbone interact. energy: -1.431
local terms energy: -271.939412
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -69.120
flat angles C4'-P-C4' energy: -63.250
flat angles P-C4'-P energy: -34.661
tors. eta vs tors. theta energy: -53.670
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: 224
Temperature: 1.350000
Total energy: -628.816183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.816183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.816183 (E_RNA)
where:
Base-Base interactions energy: -378.178
where: short stacking energy: -193.177
Base-Backbone interact. energy: -0.680
local terms energy: -249.958218
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -68.090
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -32.975
tors. eta vs tors. theta energy: -26.687
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: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1474.827679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.827679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.827679 (E_RNA)
where:
Base-Base interactions energy: -1049.995
where: short stacking energy: -442.989
Base-Backbone interact. energy: -0.371
local terms energy: -424.460819
where:
bonds (distance) C4'-P energy: -74.019
bonds (distance) P-C4' energy: -74.630
flat angles C4'-P-C4' energy: -90.034
flat angles P-C4'-P energy: -61.140
tors. eta vs tors. theta energy: -124.638
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: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1349.893358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.893358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.893358 (E_RNA)
where:
Base-Base interactions energy: -967.296
where: short stacking energy: -388.638
Base-Backbone interact. energy: -1.026
local terms energy: -381.571276
where:
bonds (distance) C4'-P energy: -72.752
bonds (distance) P-C4' energy: -71.431
flat angles C4'-P-C4' energy: -82.422
flat angles P-C4'-P energy: -49.451
tors. eta vs tors. theta energy: -105.515
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: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1310.361288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.361288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.361288 (E_RNA)
where:
Base-Base interactions energy: -915.160
where: short stacking energy: -395.286
Base-Backbone interact. energy: -1.143
local terms energy: -394.058399
where:
bonds (distance) C4'-P energy: -79.656
bonds (distance) P-C4' energy: -62.443
flat angles C4'-P-C4' energy: -81.443
flat angles P-C4'-P energy: -56.737
tors. eta vs tors. theta energy: -113.779
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: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1268.281211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.281211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.281211 (E_RNA)
where:
Base-Base interactions energy: -874.614
where: short stacking energy: -376.763
Base-Backbone interact. energy: -2.306
local terms energy: -391.361099
where:
bonds (distance) C4'-P energy: -77.410
bonds (distance) P-C4' energy: -71.201
flat angles C4'-P-C4' energy: -76.777
flat angles P-C4'-P energy: -63.680
tors. eta vs tors. theta energy: -102.293
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: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1188.974859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.974859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.974859 (E_RNA)
where:
Base-Base interactions energy: -816.179
where: short stacking energy: -370.656
Base-Backbone interact. energy: 1.651
local terms energy: -374.446980
where:
bonds (distance) C4'-P energy: -70.122
bonds (distance) P-C4' energy: -68.770
flat angles C4'-P-C4' energy: -72.686
flat angles P-C4'-P energy: -60.700
tors. eta vs tors. theta energy: -102.170
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: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1096.387289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.387289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.387289 (E_RNA)
where:
Base-Base interactions energy: -757.942
where: short stacking energy: -329.760
Base-Backbone interact. energy: -2.714
local terms energy: -335.731356
where:
bonds (distance) C4'-P energy: -74.148
bonds (distance) P-C4' energy: -57.185
flat angles C4'-P-C4' energy: -75.660
flat angles P-C4'-P energy: -47.002
tors. eta vs tors. theta energy: -81.737
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: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -993.947110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.947110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.947110 (E_RNA)
where:
Base-Base interactions energy: -689.084
where: short stacking energy: -274.525
Base-Backbone interact. energy: 0.193
local terms energy: -305.055782
where:
bonds (distance) C4'-P energy: -58.151
bonds (distance) P-C4' energy: -60.755
flat angles C4'-P-C4' energy: -73.731
flat angles P-C4'-P energy: -49.636
tors. eta vs tors. theta energy: -62.782
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: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1009.210102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.210102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.210102 (E_RNA)
where:
Base-Base interactions energy: -683.395
where: short stacking energy: -289.468
Base-Backbone interact. energy: 0.768
local terms energy: -326.582871
where:
bonds (distance) C4'-P energy: -69.346
bonds (distance) P-C4' energy: -64.636
flat angles C4'-P-C4' energy: -72.013
flat angles P-C4'-P energy: -47.881
tors. eta vs tors. theta energy: -72.708
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: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -839.760230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.760230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.760230 (E_RNA)
where:
Base-Base interactions energy: -574.342
where: short stacking energy: -237.108
Base-Backbone interact. energy: -2.553
local terms energy: -262.865128
where:
bonds (distance) C4'-P energy: -49.608
bonds (distance) P-C4' energy: -58.752
flat angles C4'-P-C4' energy: -58.415
flat angles P-C4'-P energy: -43.841
tors. eta vs tors. theta energy: -52.248
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: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -632.962124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.962124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.962124 (E_RNA)
where:
Base-Base interactions energy: -398.451
where: short stacking energy: -190.539
Base-Backbone interact. energy: -0.084
local terms energy: -234.426748
where:
bonds (distance) C4'-P energy: -62.582
bonds (distance) P-C4' energy: -54.291
flat angles C4'-P-C4' energy: -61.381
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -30.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1471.693147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.693147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.693147 (E_RNA)
where:
Base-Base interactions energy: -1048.406
where: short stacking energy: -432.838
Base-Backbone interact. energy: -0.505
local terms energy: -422.781958
where:
bonds (distance) C4'-P energy: -67.498
bonds (distance) P-C4' energy: -79.998
flat angles C4'-P-C4' energy: -90.052
flat angles P-C4'-P energy: -60.792
tors. eta vs tors. theta energy: -124.442
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: 2, replica: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1366.669940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.669940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.669940 (E_RNA)
where:
Base-Base interactions energy: -962.501
where: short stacking energy: -388.996
Base-Backbone interact. energy: -1.212
local terms energy: -402.956719
where:
bonds (distance) C4'-P energy: -71.777
bonds (distance) P-C4' energy: -77.345
flat angles C4'-P-C4' energy: -87.004
flat angles P-C4'-P energy: -57.064
tors. eta vs tors. theta energy: -109.767
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: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1305.391277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.391277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.391277 (E_RNA)
where:
Base-Base interactions energy: -899.322
where: short stacking energy: -375.032
Base-Backbone interact. energy: 0.923
local terms energy: -406.992082
where:
bonds (distance) C4'-P energy: -75.147
bonds (distance) P-C4' energy: -79.689
flat angles C4'-P-C4' energy: -88.138
flat angles P-C4'-P energy: -57.397
tors. eta vs tors. theta energy: -106.621
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: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1264.911709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.911709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.911709 (E_RNA)
where:
Base-Base interactions energy: -868.180
where: short stacking energy: -352.037
Base-Backbone interact. energy: 0.400
local terms energy: -397.131357
where:
bonds (distance) C4'-P energy: -67.764
bonds (distance) P-C4' energy: -80.142
flat angles C4'-P-C4' energy: -87.763
flat angles P-C4'-P energy: -54.043
tors. eta vs tors. theta energy: -107.419
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: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1165.383402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.383402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.383402 (E_RNA)
where:
Base-Base interactions energy: -822.151
where: short stacking energy: -337.567
Base-Backbone interact. energy: -1.874
local terms energy: -341.358528
where:
bonds (distance) C4'-P energy: -58.417
bonds (distance) P-C4' energy: -66.302
flat angles C4'-P-C4' energy: -77.479
flat angles P-C4'-P energy: -46.082
tors. eta vs tors. theta energy: -93.079
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: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1095.091162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.091162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.091162 (E_RNA)
where:
Base-Base interactions energy: -741.940
where: short stacking energy: -304.110
Base-Backbone interact. energy: 0.559
local terms energy: -353.709875
where:
bonds (distance) C4'-P energy: -67.525
bonds (distance) P-C4' energy: -74.497
flat angles C4'-P-C4' energy: -78.701
flat angles P-C4'-P energy: -62.581
tors. eta vs tors. theta energy: -70.406
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: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1082.154574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.154574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.154574 (E_RNA)
where:
Base-Base interactions energy: -743.021
where: short stacking energy: -328.053
Base-Backbone interact. energy: 0.722
local terms energy: -339.855703
where:
bonds (distance) C4'-P energy: -58.836
bonds (distance) P-C4' energy: -71.963
flat angles C4'-P-C4' energy: -69.796
flat angles P-C4'-P energy: -46.870
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: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1002.953026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.953026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.953026 (E_RNA)
where:
Base-Base interactions energy: -699.408
where: short stacking energy: -296.033
Base-Backbone interact. energy: 0.737
local terms energy: -304.282213
where:
bonds (distance) C4'-P energy: -69.157
bonds (distance) P-C4' energy: -57.661
flat angles C4'-P-C4' energy: -64.629
flat angles P-C4'-P energy: -38.531
tors. eta vs tors. theta energy: -74.303
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: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -808.878159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.878159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.878159 (E_RNA)
where:
Base-Base interactions energy: -510.542
where: short stacking energy: -203.606
Base-Backbone interact. energy: 0.265
local terms energy: -298.601570
where:
bonds (distance) C4'-P energy: -64.542
bonds (distance) P-C4' energy: -80.531
flat angles C4'-P-C4' energy: -75.750
flat angles P-C4'-P energy: -38.523
tors. eta vs tors. theta energy: -39.256
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: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -659.108315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.108315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.108315 (E_RNA)
where:
Base-Base interactions energy: -409.360
where: short stacking energy: -201.273
Base-Backbone interact. energy: 3.129
local terms energy: -252.876834
where:
bonds (distance) C4'-P energy: -70.491
bonds (distance) P-C4' energy: -58.506
flat angles C4'-P-C4' energy: -52.406
flat angles P-C4'-P energy: -39.453
tors. eta vs tors. theta energy: -32.022
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: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1474.393652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.393652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.393652 (E_RNA)
where:
Base-Base interactions energy: -1063.502
where: short stacking energy: -435.324
Base-Backbone interact. energy: -0.986
local terms energy: -409.905478
where:
bonds (distance) C4'-P energy: -67.858
bonds (distance) P-C4' energy: -78.367
flat angles C4'-P-C4' energy: -91.475
flat angles P-C4'-P energy: -52.917
tors. eta vs tors. theta energy: -119.289
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: 227
Temperature: 0.950000
Total energy: -1326.412856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.412856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.412856 (E_RNA)
where:
Base-Base interactions energy: -925.913
where: short stacking energy: -382.061
Base-Backbone interact. energy: -0.790
local terms energy: -399.708957
where:
bonds (distance) C4'-P energy: -73.247
bonds (distance) P-C4' energy: -75.003
flat angles C4'-P-C4' energy: -89.483
flat angles P-C4'-P energy: -56.268
tors. eta vs tors. theta energy: -105.709
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: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1333.053904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.053904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.053904 (E_RNA)
where:
Base-Base interactions energy: -944.235
where: short stacking energy: -399.845
Base-Backbone interact. energy: -0.401
local terms energy: -388.417000
where:
bonds (distance) C4'-P energy: -71.147
bonds (distance) P-C4' energy: -78.225
flat angles C4'-P-C4' energy: -86.362
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: -105.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1237.305733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.305733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.305733 (E_RNA)
where:
Base-Base interactions energy: -875.494
where: short stacking energy: -351.689
Base-Backbone interact. energy: -2.400
local terms energy: -359.412538
where:
bonds (distance) C4'-P energy: -69.860
bonds (distance) P-C4' energy: -66.423
flat angles C4'-P-C4' energy: -75.343
flat angles P-C4'-P energy: -51.287
tors. eta vs tors. theta energy: -96.501
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: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1188.030464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.030464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.030464 (E_RNA)
where:
Base-Base interactions energy: -825.594
where: short stacking energy: -344.460
Base-Backbone interact. energy: -0.614
local terms energy: -361.822436
where:
bonds (distance) C4'-P energy: -67.923
bonds (distance) P-C4' energy: -68.220
flat angles C4'-P-C4' energy: -84.914
flat angles P-C4'-P energy: -47.740
tors. eta vs tors. theta energy: -93.025
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: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1142.771614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.771614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.771614 (E_RNA)
where:
Base-Base interactions energy: -808.546
where: short stacking energy: -342.177
Base-Backbone interact. energy: -0.244
local terms energy: -333.981345
where:
bonds (distance) C4'-P energy: -59.987
bonds (distance) P-C4' energy: -59.281
flat angles C4'-P-C4' energy: -82.094
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -95.193
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: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1017.769511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.769511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.769511 (E_RNA)
where:
Base-Base interactions energy: -727.021
where: short stacking energy: -313.381
Base-Backbone interact. energy: 4.554
local terms energy: -295.302972
where:
bonds (distance) C4'-P energy: -58.171
bonds (distance) P-C4' energy: -58.313
flat angles C4'-P-C4' energy: -64.228
flat angles P-C4'-P energy: -35.963
tors. eta vs tors. theta energy: -78.628
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: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1041.448043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.448043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.448043 (E_RNA)
where:
Base-Base interactions energy: -722.747
where: short stacking energy: -293.199
Base-Backbone interact. energy: -1.807
local terms energy: -316.893934
where:
bonds (distance) C4'-P energy: -65.697
bonds (distance) P-C4' energy: -66.689
flat angles C4'-P-C4' energy: -79.734
flat angles P-C4'-P energy: -38.293
tors. eta vs tors. theta energy: -66.480
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: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -764.034399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.034399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.034399 (E_RNA)
where:
Base-Base interactions energy: -506.963
where: short stacking energy: -217.827
Base-Backbone interact. energy: 1.014
local terms energy: -258.086047
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -62.799
flat angles P-C4'-P energy: -41.592
tors. eta vs tors. theta energy: -37.820
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: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -624.605149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.605149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.605149 (E_RNA)
where:
Base-Base interactions energy: -383.469
where: short stacking energy: -172.990
Base-Backbone interact. energy: 3.743
local terms energy: -244.879026
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -60.638
flat angles C4'-P-C4' energy: -70.154
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -22.396
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: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1490.453077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.453077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.453077 (E_RNA)
where:
Base-Base interactions energy: -1076.078
where: short stacking energy: -432.044
Base-Backbone interact. energy: 2.153
local terms energy: -416.528202
where:
bonds (distance) C4'-P energy: -66.516
bonds (distance) P-C4' energy: -77.019
flat angles C4'-P-C4' energy: -93.346
flat angles P-C4'-P energy: -57.013
tors. eta vs tors. theta energy: -122.634
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1344.719253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.719253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.719253 (E_RNA)
where:
Base-Base interactions energy: -963.115
where: short stacking energy: -392.732
Base-Backbone interact. energy: 1.438
local terms energy: -383.042366
where:
bonds (distance) C4'-P energy: -63.416
bonds (distance) P-C4' energy: -66.785
flat angles C4'-P-C4' energy: -90.705
flat angles P-C4'-P energy: -52.267
tors. eta vs tors. theta energy: -109.869
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: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1329.460387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.460387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.460387 (E_RNA)
where:
Base-Base interactions energy: -954.047
where: short stacking energy: -393.949
Base-Backbone interact. energy: -0.721
local terms energy: -374.692379
where:
bonds (distance) C4'-P energy: -64.921
bonds (distance) P-C4' energy: -74.101
flat angles C4'-P-C4' energy: -84.198
flat angles P-C4'-P energy: -43.092
tors. eta vs tors. theta energy: -108.381
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: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1264.745820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.745820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.745820 (E_RNA)
where:
Base-Base interactions energy: -879.513
where: short stacking energy: -378.141
Base-Backbone interact. energy: -1.759
local terms energy: -383.473662
where:
bonds (distance) C4'-P energy: -68.674
bonds (distance) P-C4' energy: -73.703
flat angles C4'-P-C4' energy: -80.650
flat angles P-C4'-P energy: -59.878
tors. eta vs tors. theta energy: -100.568
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: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1169.067638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.067638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.067638 (E_RNA)
where:
Base-Base interactions energy: -818.611
where: short stacking energy: -339.210
Base-Backbone interact. energy: 1.403
local terms energy: -351.859434
where:
bonds (distance) C4'-P energy: -76.870
bonds (distance) P-C4' energy: -58.137
flat angles C4'-P-C4' energy: -73.203
flat angles P-C4'-P energy: -52.210
tors. eta vs tors. theta energy: -91.440
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: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1119.956512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.956512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.956512 (E_RNA)
where:
Base-Base interactions energy: -789.700
where: short stacking energy: -345.291
Base-Backbone interact. energy: -0.623
local terms energy: -329.633339
where:
bonds (distance) C4'-P energy: -61.311
bonds (distance) P-C4' energy: -56.620
flat angles C4'-P-C4' energy: -72.600
flat angles P-C4'-P energy: -48.574
tors. eta vs tors. theta energy: -90.528
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: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1050.342789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.342789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.342789 (E_RNA)
where:
Base-Base interactions energy: -745.128
where: short stacking energy: -302.969
Base-Backbone interact. energy: 0.187
local terms energy: -305.401719
where:
bonds (distance) C4'-P energy: -75.768
bonds (distance) P-C4' energy: -65.457
flat angles C4'-P-C4' energy: -53.612
flat angles P-C4'-P energy: -38.334
tors. eta vs tors. theta energy: -72.230
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: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -993.811896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.811896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.811896 (E_RNA)
where:
Base-Base interactions energy: -685.760
where: short stacking energy: -299.639
Base-Backbone interact. energy: -0.802
local terms energy: -307.249766
where:
bonds (distance) C4'-P energy: -63.960
bonds (distance) P-C4' energy: -58.039
flat angles C4'-P-C4' energy: -72.139
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -71.854
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: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -776.340953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.340953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.340953 (E_RNA)
where:
Base-Base interactions energy: -527.972
where: short stacking energy: -240.393
Base-Backbone interact. energy: 1.090
local terms energy: -249.458716
where:
bonds (distance) C4'-P energy: -56.498
bonds (distance) P-C4' energy: -54.405
flat angles C4'-P-C4' energy: -64.851
flat angles P-C4'-P energy: -34.502
tors. eta vs tors. theta energy: -39.203
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: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -697.590581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.590581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.590581 (E_RNA)
where:
Base-Base interactions energy: -458.648
where: short stacking energy: -221.792
Base-Backbone interact. energy: -0.034
local terms energy: -238.908428
where:
bonds (distance) C4'-P energy: -47.492
bonds (distance) P-C4' energy: -52.764
flat angles C4'-P-C4' energy: -61.497
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -42.771
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: 229
Temperature: 0.900000
Total energy: -1491.898176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.898176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.898176 (E_RNA)
where:
Base-Base interactions energy: -1078.196
where: short stacking energy: -438.030
Base-Backbone interact. energy: -0.599
local terms energy: -413.103466
where:
bonds (distance) C4'-P energy: -72.533
bonds (distance) P-C4' energy: -73.105
flat angles C4'-P-C4' energy: -85.992
flat angles P-C4'-P energy: -60.380
tors. eta vs tors. theta energy: -121.094
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: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1370.215304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.215304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.215304 (E_RNA)
where:
Base-Base interactions energy: -976.689
where: short stacking energy: -409.543
Base-Backbone interact. energy: -0.870
local terms energy: -392.655908
where:
bonds (distance) C4'-P energy: -73.720
bonds (distance) P-C4' energy: -69.588
flat angles C4'-P-C4' energy: -73.956
flat angles P-C4'-P energy: -58.811
tors. eta vs tors. theta energy: -116.581
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: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1301.682044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.682044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.682044 (E_RNA)
where:
Base-Base interactions energy: -920.234
where: short stacking energy: -395.559
Base-Backbone interact. energy: -2.432
local terms energy: -379.016400
where:
bonds (distance) C4'-P energy: -71.257
bonds (distance) P-C4' energy: -71.387
flat angles C4'-P-C4' energy: -72.644
flat angles P-C4'-P energy: -54.494
tors. eta vs tors. theta energy: -109.234
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: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1262.411415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.411415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.411415 (E_RNA)
where:
Base-Base interactions energy: -879.308
where: short stacking energy: -357.413
Base-Backbone interact. energy: -2.038
local terms energy: -381.065359
where:
bonds (distance) C4'-P energy: -75.040
bonds (distance) P-C4' energy: -69.159
flat angles C4'-P-C4' energy: -81.320
flat angles P-C4'-P energy: -55.074
tors. eta vs tors. theta energy: -100.472
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: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1178.776560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.776560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.776560 (E_RNA)
where:
Base-Base interactions energy: -840.567
where: short stacking energy: -350.376
Base-Backbone interact. energy: 2.570
local terms energy: -340.779863
where:
bonds (distance) C4'-P energy: -67.785
bonds (distance) P-C4' energy: -61.603
flat angles C4'-P-C4' energy: -75.726
flat angles P-C4'-P energy: -43.657
tors. eta vs tors. theta energy: -92.009
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: 229
Temperature: 1.150000
Total energy: -1102.253759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.253759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.253759 (E_RNA)
where:
Base-Base interactions energy: -757.826
where: short stacking energy: -333.099
Base-Backbone interact. energy: -1.444
local terms energy: -342.984599
where:
bonds (distance) C4'-P energy: -64.750
bonds (distance) P-C4' energy: -70.158
flat angles C4'-P-C4' energy: -75.183
flat angles P-C4'-P energy: -41.611
tors. eta vs tors. theta energy: -91.283
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: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1037.312202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.312202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.312202 (E_RNA)
where:
Base-Base interactions energy: -761.083
where: short stacking energy: -297.970
Base-Backbone interact. energy: -0.093
local terms energy: -276.137020
where:
bonds (distance) C4'-P energy: -46.617
bonds (distance) P-C4' energy: -49.446
flat angles C4'-P-C4' energy: -65.251
flat angles P-C4'-P energy: -51.446
tors. eta vs tors. theta energy: -63.377
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: 8, replica: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1019.584838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.584838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.584838 (E_RNA)
where:
Base-Base interactions energy: -692.885
where: short stacking energy: -293.768
Base-Backbone interact. energy: -1.027
local terms energy: -325.672051
where:
bonds (distance) C4'-P energy: -61.586
bonds (distance) P-C4' energy: -67.319
flat angles C4'-P-C4' energy: -75.090
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -76.857
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: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -765.042670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.042670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.042670 (E_RNA)
where:
Base-Base interactions energy: -498.311
where: short stacking energy: -217.048
Base-Backbone interact. energy: -2.341
local terms energy: -264.390907
where:
bonds (distance) C4'-P energy: -54.924
bonds (distance) P-C4' energy: -66.318
flat angles C4'-P-C4' energy: -58.948
flat angles P-C4'-P energy: -38.307
tors. eta vs tors. theta energy: -45.895
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: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -713.147014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.147014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.147014 (E_RNA)
where:
Base-Base interactions energy: -448.236
where: short stacking energy: -192.676
Base-Backbone interact. energy: -0.700
local terms energy: -264.210930
where:
bonds (distance) C4'-P energy: -68.513
bonds (distance) P-C4' energy: -57.120
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -47.406
tors. eta vs tors. theta energy: -31.421
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: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1485.193916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.193916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.193916 (E_RNA)
where:
Base-Base interactions energy: -1061.649
where: short stacking energy: -436.337
Base-Backbone interact. energy: -1.253
local terms energy: -422.291851
where:
bonds (distance) C4'-P energy: -70.775
bonds (distance) P-C4' energy: -78.866
flat angles C4'-P-C4' energy: -86.223
flat angles P-C4'-P energy: -64.695
tors. eta vs tors. theta energy: -121.732
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: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1384.435608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.435608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.435608 (E_RNA)
where:
Base-Base interactions energy: -979.314
where: short stacking energy: -409.854
Base-Backbone interact. energy: -0.875
local terms energy: -404.247024
where:
bonds (distance) C4'-P energy: -67.571
bonds (distance) P-C4' energy: -75.927
flat angles C4'-P-C4' energy: -84.834
flat angles P-C4'-P energy: -59.323
tors. eta vs tors. theta energy: -116.592
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: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1336.392458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.392458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.392458 (E_RNA)
where:
Base-Base interactions energy: -949.260
where: short stacking energy: -386.677
Base-Backbone interact. energy: -0.633
local terms energy: -386.499425
where:
bonds (distance) C4'-P energy: -71.187
bonds (distance) P-C4' energy: -65.859
flat angles C4'-P-C4' energy: -79.478
flat angles P-C4'-P energy: -53.970
tors. eta vs tors. theta energy: -116.005
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: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1223.613376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.613376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.613376 (E_RNA)
where:
Base-Base interactions energy: -862.917
where: short stacking energy: -358.733
Base-Backbone interact. energy: -0.443
local terms energy: -360.253386
where:
bonds (distance) C4'-P energy: -72.796
bonds (distance) P-C4' energy: -66.785
flat angles C4'-P-C4' energy: -77.157
flat angles P-C4'-P energy: -51.121
tors. eta vs tors. theta energy: -92.395
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: 230
Temperature: 1.100000
Total energy: -1205.675678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.675678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.675678 (E_RNA)
where:
Base-Base interactions energy: -842.527
where: short stacking energy: -359.508
Base-Backbone interact. energy: -1.804
local terms energy: -361.344896
where:
bonds (distance) C4'-P energy: -57.792
bonds (distance) P-C4' energy: -66.057
flat angles C4'-P-C4' energy: -77.948
flat angles P-C4'-P energy: -55.510
tors. eta vs tors. theta energy: -104.037
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: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1119.819519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.819519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.819519 (E_RNA)
where:
Base-Base interactions energy: -784.265
where: short stacking energy: -330.875
Base-Backbone interact. energy: -1.095
local terms energy: -334.459197
where:
bonds (distance) C4'-P energy: -67.290
bonds (distance) P-C4' energy: -67.799
flat angles C4'-P-C4' energy: -61.268
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -89.789
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: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1100.448194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.448194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.448194 (E_RNA)
where:
Base-Base interactions energy: -785.267
where: short stacking energy: -326.721
Base-Backbone interact. energy: -0.346
local terms energy: -314.834383
where:
bonds (distance) C4'-P energy: -59.021
bonds (distance) P-C4' energy: -51.971
flat angles C4'-P-C4' energy: -81.862
flat angles P-C4'-P energy: -50.347
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: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -992.426012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.426012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.426012 (E_RNA)
where:
Base-Base interactions energy: -703.515
where: short stacking energy: -286.514
Base-Backbone interact. energy: 1.380
local terms energy: -290.291614
where:
bonds (distance) C4'-P energy: -60.223
bonds (distance) P-C4' energy: -55.815
flat angles C4'-P-C4' energy: -58.335
flat angles P-C4'-P energy: -33.310
tors. eta vs tors. theta energy: -82.609
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: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -762.124344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.124344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.124344 (E_RNA)
where:
Base-Base interactions energy: -493.979
where: short stacking energy: -230.751
Base-Backbone interact. energy: -0.500
local terms energy: -267.645180
where:
bonds (distance) C4'-P energy: -54.816
bonds (distance) P-C4' energy: -56.449
flat angles C4'-P-C4' energy: -65.671
flat angles P-C4'-P energy: -38.280
tors. eta vs tors. theta energy: -52.430
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: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -720.580863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.580863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.580863 (E_RNA)
where:
Base-Base interactions energy: -478.921
where: short stacking energy: -207.727
Base-Backbone interact. energy: 0.261
local terms energy: -241.920662
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -51.108
flat angles C4'-P-C4' energy: -70.275
flat angles P-C4'-P energy: -29.293
tors. eta vs tors. theta energy: -45.830
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: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1498.268571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.268571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.268571 (E_RNA)
where:
Base-Base interactions energy: -1057.791
where: short stacking energy: -444.036
Base-Backbone interact. energy: -1.129
local terms energy: -439.349190
where:
bonds (distance) C4'-P energy: -78.299
bonds (distance) P-C4' energy: -87.817
flat angles C4'-P-C4' energy: -85.834
flat angles P-C4'-P energy: -62.756
tors. eta vs tors. theta energy: -124.643
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: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1371.381502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.381502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.381502 (E_RNA)
where:
Base-Base interactions energy: -970.195
where: short stacking energy: -404.223
Base-Backbone interact. energy: -3.676
local terms energy: -397.509832
where:
bonds (distance) C4'-P energy: -71.968
bonds (distance) P-C4' energy: -74.290
flat angles C4'-P-C4' energy: -81.733
flat angles P-C4'-P energy: -56.434
tors. eta vs tors. theta energy: -113.085
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: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1323.924264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.924264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.924264 (E_RNA)
where:
Base-Base interactions energy: -947.312
where: short stacking energy: -410.582
Base-Backbone interact. energy: 0.934
local terms energy: -377.546623
where:
bonds (distance) C4'-P energy: -55.701
bonds (distance) P-C4' energy: -65.790
flat angles C4'-P-C4' energy: -79.946
flat angles P-C4'-P energy: -63.520
tors. eta vs tors. theta energy: -112.590
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: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1248.855181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.855181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.855181 (E_RNA)
where:
Base-Base interactions energy: -872.008
where: short stacking energy: -360.259
Base-Backbone interact. energy: -1.655
local terms energy: -375.192316
where:
bonds (distance) C4'-P energy: -75.674
bonds (distance) P-C4' energy: -64.264
flat angles C4'-P-C4' energy: -77.145
flat angles P-C4'-P energy: -51.376
tors. eta vs tors. theta energy: -106.734
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: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1216.781918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.781918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.781918 (E_RNA)
where:
Base-Base interactions energy: -835.790
where: short stacking energy: -355.675
Base-Backbone interact. energy: -0.908
local terms energy: -380.084062
where:
bonds (distance) C4'-P energy: -64.913
bonds (distance) P-C4' energy: -81.431
flat angles C4'-P-C4' energy: -80.743
flat angles P-C4'-P energy: -51.407
tors. eta vs tors. theta energy: -101.590
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: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1131.781171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.781171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.781171 (E_RNA)
where:
Base-Base interactions energy: -791.598
where: short stacking energy: -347.737
Base-Backbone interact. energy: -0.602
local terms energy: -339.581616
where:
bonds (distance) C4'-P energy: -63.233
bonds (distance) P-C4' energy: -60.873
flat angles C4'-P-C4' energy: -78.158
flat angles P-C4'-P energy: -46.425
tors. eta vs tors. theta energy: -90.891
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: 231
Temperature: 1.200000
Total energy: -1072.659330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.659330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.659330 (E_RNA)
where:
Base-Base interactions energy: -742.019
where: short stacking energy: -322.899
Base-Backbone interact. energy: 0.620
local terms energy: -331.260916
where:
bonds (distance) C4'-P energy: -50.747
bonds (distance) P-C4' energy: -64.731
flat angles C4'-P-C4' energy: -79.824
flat angles P-C4'-P energy: -56.082
tors. eta vs tors. theta energy: -79.877
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: 8, replica: 2
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1035.595106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.595106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.595106 (E_RNA)
where:
Base-Base interactions energy: -727.285
where: short stacking energy: -310.352
Base-Backbone interact. energy: -1.310
local terms energy: -307.000253
where:
bonds (distance) C4'-P energy: -61.299
bonds (distance) P-C4' energy: -59.391
flat angles C4'-P-C4' energy: -63.547
flat angles P-C4'-P energy: -36.284
tors. eta vs tors. theta energy: -86.479
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: 9, replica: 3
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -800.186136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.186136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.186136 (E_RNA)
where:
Base-Base interactions energy: -525.439
where: short stacking energy: -243.186
Base-Backbone interact. energy: 2.218
local terms energy: -276.964513
where:
bonds (distance) C4'-P energy: -68.841
bonds (distance) P-C4' energy: -70.400
flat angles C4'-P-C4' energy: -59.684
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: -39.889
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: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -686.052761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.052761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.052761 (E_RNA)
where:
Base-Base interactions energy: -450.421
where: short stacking energy: -173.826
Base-Backbone interact. energy: -1.157
local terms energy: -234.475014
where:
bonds (distance) C4'-P energy: -54.565
bonds (distance) P-C4' energy: -73.690
flat angles C4'-P-C4' energy: -53.369
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: -20.168
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: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1467.387545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.387545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.387545 (E_RNA)
where:
Base-Base interactions energy: -1071.705
where: short stacking energy: -444.589
Base-Backbone interact. energy: -0.822
local terms energy: -394.860812
where:
bonds (distance) C4'-P energy: -70.503
bonds (distance) P-C4' energy: -59.316
flat angles C4'-P-C4' energy: -87.249
flat angles P-C4'-P energy: -58.183
tors. eta vs tors. theta energy: -119.609
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: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1360.547803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.547803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.547803 (E_RNA)
where:
Base-Base interactions energy: -960.624
where: short stacking energy: -397.898
Base-Backbone interact. energy: -1.067
local terms energy: -398.856020
where:
bonds (distance) C4'-P energy: -64.059
bonds (distance) P-C4' energy: -77.549
flat angles C4'-P-C4' energy: -88.605
flat angles P-C4'-P energy: -58.115
tors. eta vs tors. theta energy: -110.528
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: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1294.896911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.896911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.896911 (E_RNA)
where:
Base-Base interactions energy: -912.517
where: short stacking energy: -377.783
Base-Backbone interact. energy: -0.928
local terms energy: -381.451014
where:
bonds (distance) C4'-P energy: -64.012
bonds (distance) P-C4' energy: -71.186
flat angles C4'-P-C4' energy: -76.298
flat angles P-C4'-P energy: -58.572
tors. eta vs tors. theta energy: -111.383
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: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1221.199337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.199337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.199337 (E_RNA)
where:
Base-Base interactions energy: -854.326
where: short stacking energy: -340.597
Base-Backbone interact. energy: 1.091
local terms energy: -367.964224
where:
bonds (distance) C4'-P energy: -72.622
bonds (distance) P-C4' energy: -76.023
flat angles C4'-P-C4' energy: -69.736
flat angles P-C4'-P energy: -54.329
tors. eta vs tors. theta energy: -95.254
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: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1152.573679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.573679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.573679 (E_RNA)
where:
Base-Base interactions energy: -805.361
where: short stacking energy: -348.574
Base-Backbone interact. energy: -2.308
local terms energy: -344.905377
where:
bonds (distance) C4'-P energy: -69.700
bonds (distance) P-C4' energy: -59.741
flat angles C4'-P-C4' energy: -78.144
flat angles P-C4'-P energy: -46.006
tors. eta vs tors. theta energy: -91.314
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: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1217.912175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.912175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.912175 (E_RNA)
where:
Base-Base interactions energy: -880.270
where: short stacking energy: -353.793
Base-Backbone interact. energy: -1.401
local terms energy: -336.241059
where:
bonds (distance) C4'-P energy: -68.129
bonds (distance) P-C4' energy: -62.946
flat angles C4'-P-C4' energy: -71.089
flat angles P-C4'-P energy: -38.323
tors. eta vs tors. theta energy: -95.754
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: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1080.722628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.722628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.722628 (E_RNA)
where:
Base-Base interactions energy: -750.053
where: short stacking energy: -323.977
Base-Backbone interact. energy: -0.036
local terms energy: -330.633720
where:
bonds (distance) C4'-P energy: -64.625
bonds (distance) P-C4' energy: -75.926
flat angles C4'-P-C4' energy: -67.184
flat angles P-C4'-P energy: -38.981
tors. eta vs tors. theta energy: -83.917
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: 8, replica: 2
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1033.586191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.586191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.586191 (E_RNA)
where:
Base-Base interactions energy: -719.379
where: short stacking energy: -287.304
Base-Backbone interact. energy: -2.197
local terms energy: -312.010119
where:
bonds (distance) C4'-P energy: -44.828
bonds (distance) P-C4' energy: -73.629
flat angles C4'-P-C4' energy: -68.874
flat angles P-C4'-P energy: -51.543
tors. eta vs tors. theta energy: -73.135
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: 232
Temperature: 1.300000
Total energy: -725.348916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.348916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.348916 (E_RNA)
where:
Base-Base interactions energy: -479.958
where: short stacking energy: -199.506
Base-Backbone interact. energy: -1.417
local terms energy: -243.973646
where:
bonds (distance) C4'-P energy: -44.009
bonds (distance) P-C4' energy: -65.770
flat angles C4'-P-C4' energy: -60.878
flat angles P-C4'-P energy: -36.873
tors. eta vs tors. theta energy: -36.444
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: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -740.484153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.484153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.484153 (E_RNA)
where:
Base-Base interactions energy: -462.268
where: short stacking energy: -206.636
Base-Backbone interact. energy: 1.510
local terms energy: -279.725961
where:
bonds (distance) C4'-P energy: -59.249
bonds (distance) P-C4' energy: -64.146
flat angles C4'-P-C4' energy: -71.172
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: -52.069
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: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1457.401880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.401880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.401880 (E_RNA)
where:
Base-Base interactions energy: -1051.680
where: short stacking energy: -421.921
Base-Backbone interact. energy: 3.487
local terms energy: -409.208203
where:
bonds (distance) C4'-P energy: -72.448
bonds (distance) P-C4' energy: -76.216
flat angles C4'-P-C4' energy: -83.447
flat angles P-C4'-P energy: -58.125
tors. eta vs tors. theta energy: -118.972
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: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1340.601327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.601327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.601327 (E_RNA)
where:
Base-Base interactions energy: -944.447
where: short stacking energy: -392.773
Base-Backbone interact. energy: -0.019
local terms energy: -396.134848
where:
bonds (distance) C4'-P energy: -77.583
bonds (distance) P-C4' energy: -72.106
flat angles C4'-P-C4' energy: -90.773
flat angles P-C4'-P energy: -49.100
tors. eta vs tors. theta energy: -106.573
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: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1332.888951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.888951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.888951 (E_RNA)
where:
Base-Base interactions energy: -939.475
where: short stacking energy: -404.760
Base-Backbone interact. energy: -2.308
local terms energy: -391.105755
where:
bonds (distance) C4'-P energy: -56.625
bonds (distance) P-C4' energy: -81.374
flat angles C4'-P-C4' energy: -89.103
flat angles P-C4'-P energy: -54.997
tors. eta vs tors. theta energy: -109.007
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: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1231.408304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.408304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.408304 (E_RNA)
where:
Base-Base interactions energy: -875.345
where: short stacking energy: -352.308
Base-Backbone interact. energy: -1.500
local terms energy: -354.563090
where:
bonds (distance) C4'-P energy: -59.994
bonds (distance) P-C4' energy: -75.123
flat angles C4'-P-C4' energy: -83.598
flat angles P-C4'-P energy: -41.517
tors. eta vs tors. theta energy: -94.331
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: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1183.039192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.039192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.039192 (E_RNA)
where:
Base-Base interactions energy: -833.524
where: short stacking energy: -352.392
Base-Backbone interact. energy: -1.558
local terms energy: -347.956409
where:
bonds (distance) C4'-P energy: -62.226
bonds (distance) P-C4' energy: -62.230
flat angles C4'-P-C4' energy: -77.794
flat angles P-C4'-P energy: -55.786
tors. eta vs tors. theta energy: -89.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1190.650359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.650359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.650359 (E_RNA)
where:
Base-Base interactions energy: -846.771
where: short stacking energy: -340.973
Base-Backbone interact. energy: -1.354
local terms energy: -342.524597
where:
bonds (distance) C4'-P energy: -53.456
bonds (distance) P-C4' energy: -74.436
flat angles C4'-P-C4' energy: -64.280
flat angles P-C4'-P energy: -54.159
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: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1069.939508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.939508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.939508 (E_RNA)
where:
Base-Base interactions energy: -740.168
where: short stacking energy: -322.097
Base-Backbone interact. energy: -1.280
local terms energy: -328.491531
where:
bonds (distance) C4'-P energy: -56.564
bonds (distance) P-C4' energy: -72.045
flat angles C4'-P-C4' energy: -78.985
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -81.928
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: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1077.386981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.386981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.386981 (E_RNA)
where:
Base-Base interactions energy: -748.844
where: short stacking energy: -325.288
Base-Backbone interact. energy: -2.213
local terms energy: -326.329222
where:
bonds (distance) C4'-P energy: -59.269
bonds (distance) P-C4' energy: -70.798
flat angles C4'-P-C4' energy: -71.269
flat angles P-C4'-P energy: -39.514
tors. eta vs tors. theta energy: -85.479
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: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -710.713533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.713533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.713533 (E_RNA)
where:
Base-Base interactions energy: -460.769
where: short stacking energy: -192.632
Base-Backbone interact. energy: -1.545
local terms energy: -248.399320
where:
bonds (distance) C4'-P energy: -60.561
bonds (distance) P-C4' energy: -55.269
flat angles C4'-P-C4' energy: -57.292
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: -35.732
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: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -708.086629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.086629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.086629 (E_RNA)
where:
Base-Base interactions energy: -453.304
where: short stacking energy: -225.192
Base-Backbone interact. energy: -0.831
local terms energy: -253.952507
where:
bonds (distance) C4'-P energy: -56.391
bonds (distance) P-C4' energy: -58.545
flat angles C4'-P-C4' energy: -49.854
flat angles P-C4'-P energy: -38.937
tors. eta vs tors. theta energy: -50.226
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: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1492.834536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.834536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.834536 (E_RNA)
where:
Base-Base interactions energy: -1093.620
where: short stacking energy: -440.659
Base-Backbone interact. energy: -0.107
local terms energy: -399.107628
where:
bonds (distance) C4'-P energy: -78.182
bonds (distance) P-C4' energy: -67.536
flat angles C4'-P-C4' energy: -85.109
flat angles P-C4'-P energy: -56.082
tors. eta vs tors. theta energy: -112.198
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: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1344.922118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.922118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.922118 (E_RNA)
where:
Base-Base interactions energy: -939.034
where: short stacking energy: -391.413
Base-Backbone interact. energy: -1.098
local terms energy: -404.790676
where:
bonds (distance) C4'-P energy: -74.919
bonds (distance) P-C4' energy: -77.568
flat angles C4'-P-C4' energy: -81.041
flat angles P-C4'-P energy: -59.886
tors. eta vs tors. theta energy: -111.376
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: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1331.385824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.385824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.385824 (E_RNA)
where:
Base-Base interactions energy: -926.032
where: short stacking energy: -392.910
Base-Backbone interact. energy: -1.358
local terms energy: -403.996146
where:
bonds (distance) C4'-P energy: -63.505
bonds (distance) P-C4' energy: -70.142
flat angles C4'-P-C4' energy: -86.167
flat angles P-C4'-P energy: -62.583
tors. eta vs tors. theta energy: -121.600
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: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1225.140703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.140703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.140703 (E_RNA)
where:
Base-Base interactions energy: -874.528
where: short stacking energy: -350.538
Base-Backbone interact. energy: -0.721
local terms energy: -349.891011
where:
bonds (distance) C4'-P energy: -65.064
bonds (distance) P-C4' energy: -58.690
flat angles C4'-P-C4' energy: -68.462
flat angles P-C4'-P energy: -57.453
tors. eta vs tors. theta energy: -100.222
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: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1190.476609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.476609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.476609 (E_RNA)
where:
Base-Base interactions energy: -831.402
where: short stacking energy: -346.476
Base-Backbone interact. energy: 0.307
local terms energy: -359.381429
where:
bonds (distance) C4'-P energy: -73.044
bonds (distance) P-C4' energy: -59.921
flat angles C4'-P-C4' energy: -79.452
flat angles P-C4'-P energy: -53.340
tors. eta vs tors. theta energy: -93.624
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: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1167.073423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.073423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.073423 (E_RNA)
where:
Base-Base interactions energy: -813.775
where: short stacking energy: -330.336
Base-Backbone interact. energy: 0.386
local terms energy: -353.684334
where:
bonds (distance) C4'-P energy: -67.399
bonds (distance) P-C4' energy: -70.273
flat angles C4'-P-C4' energy: -79.831
flat angles P-C4'-P energy: -43.257
tors. eta vs tors. theta energy: -92.925
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: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1061.013250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.013250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.013250 (E_RNA)
where:
Base-Base interactions energy: -734.248
where: short stacking energy: -332.721
Base-Backbone interact. energy: 0.960
local terms energy: -327.725048
where:
bonds (distance) C4'-P energy: -64.303
bonds (distance) P-C4' energy: -55.954
flat angles C4'-P-C4' energy: -76.957
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -86.721
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: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1082.124340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.124340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.124340 (E_RNA)
where:
Base-Base interactions energy: -761.318
where: short stacking energy: -305.763
Base-Backbone interact. energy: -0.760
local terms energy: -320.045781
where:
bonds (distance) C4'-P energy: -49.863
bonds (distance) P-C4' energy: -59.871
flat angles C4'-P-C4' energy: -71.152
flat angles P-C4'-P energy: -46.209
tors. eta vs tors. theta energy: -92.951
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: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -773.103743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.103743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.103743 (E_RNA)
where:
Base-Base interactions energy: -517.908
where: short stacking energy: -230.987
Base-Backbone interact. energy: -0.549
local terms energy: -254.646166
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -63.579
flat angles C4'-P-C4' energy: -69.445
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -50.624
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: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -707.481691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.481691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.481691 (E_RNA)
where:
Base-Base interactions energy: -474.336
where: short stacking energy: -207.709
Base-Backbone interact. energy: -1.361
local terms energy: -231.784893
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -54.019
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -33.816
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1492.055170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.055170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.055170 (E_RNA)
where:
Base-Base interactions energy: -1079.194
where: short stacking energy: -425.915
Base-Backbone interact. energy: -0.765
local terms energy: -412.096164
where:
bonds (distance) C4'-P energy: -76.148
bonds (distance) P-C4' energy: -75.865
flat angles C4'-P-C4' energy: -83.193
flat angles P-C4'-P energy: -60.008
tors. eta vs tors. theta energy: -116.882
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: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1328.646628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.646628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.646628 (E_RNA)
where:
Base-Base interactions energy: -945.963
where: short stacking energy: -400.942
Base-Backbone interact. energy: -0.729
local terms energy: -381.954752
where:
bonds (distance) C4'-P energy: -62.043
bonds (distance) P-C4' energy: -77.303
flat angles C4'-P-C4' energy: -76.861
flat angles P-C4'-P energy: -53.084
tors. eta vs tors. theta energy: -112.664
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: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1312.842230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.842230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.842230 (E_RNA)
where:
Base-Base interactions energy: -927.843
where: short stacking energy: -390.382
Base-Backbone interact. energy: -0.908
local terms energy: -384.090611
where:
bonds (distance) C4'-P energy: -66.343
bonds (distance) P-C4' energy: -79.807
flat angles C4'-P-C4' energy: -80.672
flat angles P-C4'-P energy: -50.255
tors. eta vs tors. theta energy: -107.013
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: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1215.837112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.837112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.837112 (E_RNA)
where:
Base-Base interactions energy: -843.203
where: short stacking energy: -348.878
Base-Backbone interact. energy: -2.015
local terms energy: -370.619861
where:
bonds (distance) C4'-P energy: -81.856
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -74.959
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: -99.218
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: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1221.703712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.703712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.703712 (E_RNA)
where:
Base-Base interactions energy: -869.416
where: short stacking energy: -346.692
Base-Backbone interact. energy: 0.113
local terms energy: -352.400420
where:
bonds (distance) C4'-P energy: -61.432
bonds (distance) P-C4' energy: -70.477
flat angles C4'-P-C4' energy: -82.763
flat angles P-C4'-P energy: -55.487
tors. eta vs tors. theta energy: -82.242
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: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1197.203220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.203220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.203220 (E_RNA)
where:
Base-Base interactions energy: -853.553
where: short stacking energy: -355.777
Base-Backbone interact. energy: -2.877
local terms energy: -340.772317
where:
bonds (distance) C4'-P energy: -60.142
bonds (distance) P-C4' energy: -68.208
flat angles C4'-P-C4' energy: -79.713
flat angles P-C4'-P energy: -43.419
tors. eta vs tors. theta energy: -89.291
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: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1047.739468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.739468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.739468 (E_RNA)
where:
Base-Base interactions energy: -724.316
where: short stacking energy: -318.201
Base-Backbone interact. energy: 1.460
local terms energy: -324.883336
where:
bonds (distance) C4'-P energy: -63.988
bonds (distance) P-C4' energy: -72.952
flat angles C4'-P-C4' energy: -70.166
flat angles P-C4'-P energy: -40.129
tors. eta vs tors. theta energy: -77.648
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: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1068.357938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.357938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.357938 (E_RNA)
where:
Base-Base interactions energy: -736.968
where: short stacking energy: -309.264
Base-Backbone interact. energy: -0.853
local terms energy: -330.537384
where:
bonds (distance) C4'-P energy: -60.948
bonds (distance) P-C4' energy: -64.933
flat angles C4'-P-C4' energy: -76.583
flat angles P-C4'-P energy: -46.662
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: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -798.639903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.639903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.639903 (E_RNA)
where:
Base-Base interactions energy: -519.875
where: short stacking energy: -227.630
Base-Backbone interact. energy: 1.874
local terms energy: -280.639263
where:
bonds (distance) C4'-P energy: -69.181
bonds (distance) P-C4' energy: -63.468
flat angles C4'-P-C4' energy: -66.453
flat angles P-C4'-P energy: -44.387
tors. eta vs tors. theta energy: -37.149
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: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -662.048855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.048855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.048855 (E_RNA)
where:
Base-Base interactions energy: -432.237
where: short stacking energy: -189.611
Base-Backbone interact. energy: -1.629
local terms energy: -228.183488
where:
bonds (distance) C4'-P energy: -60.721
bonds (distance) P-C4' energy: -53.837
flat angles C4'-P-C4' energy: -50.759
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -34.167
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: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1500.422707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.422707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.422707 (E_RNA)
where:
Base-Base interactions energy: -1070.923
where: short stacking energy: -419.451
Base-Backbone interact. energy: -0.253
local terms energy: -429.246866
where:
bonds (distance) C4'-P energy: -82.169
bonds (distance) P-C4' energy: -73.023
flat angles C4'-P-C4' energy: -89.655
flat angles P-C4'-P energy: -61.007
tors. eta vs tors. theta energy: -123.394
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: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1339.259633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.259633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.259633 (E_RNA)
where:
Base-Base interactions energy: -937.160
where: short stacking energy: -409.925
Base-Backbone interact. energy: -0.935
local terms energy: -401.164403
where:
bonds (distance) C4'-P energy: -68.170
bonds (distance) P-C4' energy: -74.072
flat angles C4'-P-C4' energy: -88.312
flat angles P-C4'-P energy: -53.200
tors. eta vs tors. theta energy: -117.410
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: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1307.190545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.190545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.190545 (E_RNA)
where:
Base-Base interactions energy: -914.962
where: short stacking energy: -384.688
Base-Backbone interact. energy: -0.330
local terms energy: -391.897930
where:
bonds (distance) C4'-P energy: -71.305
bonds (distance) P-C4' energy: -72.626
flat angles C4'-P-C4' energy: -92.035
flat angles P-C4'-P energy: -43.424
tors. eta vs tors. theta energy: -112.507
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: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1202.510319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.510319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.510319 (E_RNA)
where:
Base-Base interactions energy: -838.963
where: short stacking energy: -349.671
Base-Backbone interact. energy: -1.901
local terms energy: -361.646575
where:
bonds (distance) C4'-P energy: -70.897
bonds (distance) P-C4' energy: -66.404
flat angles C4'-P-C4' energy: -74.431
flat angles P-C4'-P energy: -46.723
tors. eta vs tors. theta energy: -103.191
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: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1198.606102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.606102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.606102 (E_RNA)
where:
Base-Base interactions energy: -836.177
where: short stacking energy: -346.481
Base-Backbone interact. energy: -2.197
local terms energy: -360.232375
where:
bonds (distance) C4'-P energy: -74.445
bonds (distance) P-C4' energy: -64.525
flat angles C4'-P-C4' energy: -81.963
flat angles P-C4'-P energy: -51.945
tors. eta vs tors. theta energy: -87.354
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: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1184.907724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.907724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.907724 (E_RNA)
where:
Base-Base interactions energy: -864.137
where: short stacking energy: -362.929
Base-Backbone interact. energy: 0.859
local terms energy: -321.630349
where:
bonds (distance) C4'-P energy: -58.648
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -68.552
flat angles P-C4'-P energy: -38.256
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: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1090.110756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.110756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.110756 (E_RNA)
where:
Base-Base interactions energy: -758.616
where: short stacking energy: -338.095
Base-Backbone interact. energy: -0.844
local terms energy: -330.650583
where:
bonds (distance) C4'-P energy: -54.257
bonds (distance) P-C4' energy: -71.017
flat angles C4'-P-C4' energy: -76.298
flat angles P-C4'-P energy: -43.388
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: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1013.216891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.216891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.216891 (E_RNA)
where:
Base-Base interactions energy: -697.946
where: short stacking energy: -298.094
Base-Backbone interact. energy: 1.345
local terms energy: -316.616006
where:
bonds (distance) C4'-P energy: -60.937
bonds (distance) P-C4' energy: -43.946
flat angles C4'-P-C4' energy: -83.465
flat angles P-C4'-P energy: -50.630
tors. eta vs tors. theta energy: -77.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -805.289646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.289646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.289646 (E_RNA)
where:
Base-Base interactions energy: -544.302
where: short stacking energy: -213.985
Base-Backbone interact. energy: -0.751
local terms energy: -260.236920
where:
bonds (distance) C4'-P energy: -55.678
bonds (distance) P-C4' energy: -73.757
flat angles C4'-P-C4' energy: -56.248
flat angles P-C4'-P energy: -38.399
tors. eta vs tors. theta energy: -36.154
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: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -652.702544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.702544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.702544 (E_RNA)
where:
Base-Base interactions energy: -399.350
where: short stacking energy: -163.884
Base-Backbone interact. energy: -1.744
local terms energy: -251.608920
where:
bonds (distance) C4'-P energy: -65.664
bonds (distance) P-C4' energy: -65.689
flat angles C4'-P-C4' energy: -57.200
flat angles P-C4'-P energy: -37.762
tors. eta vs tors. theta energy: -25.294
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: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1482.811312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.811312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.811312 (E_RNA)
where:
Base-Base interactions energy: -1060.650
where: short stacking energy: -428.325
Base-Backbone interact. energy: -0.666
local terms energy: -421.495572
where:
bonds (distance) C4'-P energy: -74.855
bonds (distance) P-C4' energy: -78.819
flat angles C4'-P-C4' energy: -83.790
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -123.948
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: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1347.783369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.783369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.783369 (E_RNA)
where:
Base-Base interactions energy: -950.706
where: short stacking energy: -410.828
Base-Backbone interact. energy: -0.152
local terms energy: -396.925505
where:
bonds (distance) C4'-P energy: -73.445
bonds (distance) P-C4' energy: -76.365
flat angles C4'-P-C4' energy: -84.079
flat angles P-C4'-P energy: -54.562
tors. eta vs tors. theta energy: -108.475
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: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1319.564984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.564984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.564984 (E_RNA)
where:
Base-Base interactions energy: -943.139
where: short stacking energy: -404.083
Base-Backbone interact. energy: 1.217
local terms energy: -377.643407
where:
bonds (distance) C4'-P energy: -70.288
bonds (distance) P-C4' energy: -61.576
flat angles C4'-P-C4' energy: -81.260
flat angles P-C4'-P energy: -55.832
tors. eta vs tors. theta energy: -108.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1248.245478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.245478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.245478 (E_RNA)
where:
Base-Base interactions energy: -895.415
where: short stacking energy: -364.011
Base-Backbone interact. energy: -0.259
local terms energy: -352.571282
where:
bonds (distance) C4'-P energy: -72.762
bonds (distance) P-C4' energy: -63.039
flat angles C4'-P-C4' energy: -80.071
flat angles P-C4'-P energy: -45.963
tors. eta vs tors. theta energy: -90.736
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: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1186.942985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.942985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.942985 (E_RNA)
where:
Base-Base interactions energy: -832.738
where: short stacking energy: -339.542
Base-Backbone interact. energy: -0.084
local terms energy: -354.121067
where:
bonds (distance) C4'-P energy: -56.702
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -79.468
flat angles P-C4'-P energy: -54.118
tors. eta vs tors. theta energy: -97.394
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: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1178.380275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.380275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.380275 (E_RNA)
where:
Base-Base interactions energy: -824.324
where: short stacking energy: -331.206
Base-Backbone interact. energy: 0.155
local terms energy: -354.211252
where:
bonds (distance) C4'-P energy: -65.675
bonds (distance) P-C4' energy: -66.832
flat angles C4'-P-C4' energy: -72.539
flat angles P-C4'-P energy: -50.798
tors. eta vs tors. theta energy: -98.368
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: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1063.570442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.570442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.570442 (E_RNA)
where:
Base-Base interactions energy: -767.339
where: short stacking energy: -306.953
Base-Backbone interact. energy: 0.715
local terms energy: -296.947126
where:
bonds (distance) C4'-P energy: -51.309
bonds (distance) P-C4' energy: -65.789
flat angles C4'-P-C4' energy: -63.404
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: -72.261
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: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -979.154270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.154270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.154270 (E_RNA)
where:
Base-Base interactions energy: -663.466
where: short stacking energy: -290.766
Base-Backbone interact. energy: 0.637
local terms energy: -316.325474
where:
bonds (distance) C4'-P energy: -63.501
bonds (distance) P-C4' energy: -66.402
flat angles C4'-P-C4' energy: -68.964
flat angles P-C4'-P energy: -49.161
tors. eta vs tors. theta energy: -68.297
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: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -847.543837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.543837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.543837 (E_RNA)
where:
Base-Base interactions energy: -569.429
where: short stacking energy: -251.230
Base-Backbone interact. energy: 0.251
local terms energy: -278.365574
where:
bonds (distance) C4'-P energy: -67.594
bonds (distance) P-C4' energy: -57.818
flat angles C4'-P-C4' energy: -68.496
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -55.648
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: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -660.078542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.078542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.078542 (E_RNA)
where:
Base-Base interactions energy: -433.922
where: short stacking energy: -180.836
Base-Backbone interact. energy: 0.107
local terms energy: -226.263818
where:
bonds (distance) C4'-P energy: -56.448
bonds (distance) P-C4' energy: -57.154
flat angles C4'-P-C4' energy: -60.505
flat angles P-C4'-P energy: -32.056
tors. eta vs tors. theta energy: -20.101
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: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1478.261780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.261780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.261780 (E_RNA)
where:
Base-Base interactions energy: -1081.653
where: short stacking energy: -433.318
Base-Backbone interact. energy: 0.711
local terms energy: -397.320164
where:
bonds (distance) C4'-P energy: -66.778
bonds (distance) P-C4' energy: -70.744
flat angles C4'-P-C4' energy: -79.019
flat angles P-C4'-P energy: -55.819
tors. eta vs tors. theta energy: -124.960
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: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1350.454987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.454987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.454987 (E_RNA)
where:
Base-Base interactions energy: -945.746
where: short stacking energy: -406.285
Base-Backbone interact. energy: -0.034
local terms energy: -404.674861
where:
bonds (distance) C4'-P energy: -74.338
bonds (distance) P-C4' energy: -71.314
flat angles C4'-P-C4' energy: -86.660
flat angles P-C4'-P energy: -57.996
tors. eta vs tors. theta energy: -114.367
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: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1334.713383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.713383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.713383 (E_RNA)
where:
Base-Base interactions energy: -933.603
where: short stacking energy: -397.254
Base-Backbone interact. energy: -0.969
local terms energy: -400.141526
where:
bonds (distance) C4'-P energy: -77.658
bonds (distance) P-C4' energy: -74.130
flat angles C4'-P-C4' energy: -80.670
flat angles P-C4'-P energy: -54.031
tors. eta vs tors. theta energy: -113.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1241.230629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.230629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.230629 (E_RNA)
where:
Base-Base interactions energy: -874.704
where: short stacking energy: -366.197
Base-Backbone interact. energy: -3.420
local terms energy: -363.106243
where:
bonds (distance) C4'-P energy: -62.508
bonds (distance) P-C4' energy: -71.136
flat angles C4'-P-C4' energy: -83.070
flat angles P-C4'-P energy: -46.764
tors. eta vs tors. theta energy: -99.627
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: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1148.913019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.913019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.913019 (E_RNA)
where:
Base-Base interactions energy: -804.061
where: short stacking energy: -331.595
Base-Backbone interact. energy: -1.760
local terms energy: -343.092228
where:
bonds (distance) C4'-P energy: -67.711
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -79.579
flat angles P-C4'-P energy: -42.045
tors. eta vs tors. theta energy: -90.330
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: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1158.303339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.303339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.303339 (E_RNA)
where:
Base-Base interactions energy: -813.489
where: short stacking energy: -325.433
Base-Backbone interact. energy: -2.471
local terms energy: -342.343691
where:
bonds (distance) C4'-P energy: -58.879
bonds (distance) P-C4' energy: -76.624
flat angles C4'-P-C4' energy: -75.985
flat angles P-C4'-P energy: -38.427
tors. eta vs tors. theta energy: -92.428
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: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1055.142937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.142937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.142937 (E_RNA)
where:
Base-Base interactions energy: -740.311
where: short stacking energy: -321.293
Base-Backbone interact. energy: 0.566
local terms energy: -315.397392
where:
bonds (distance) C4'-P energy: -60.625
bonds (distance) P-C4' energy: -53.253
flat angles C4'-P-C4' energy: -70.864
flat angles P-C4'-P energy: -51.758
tors. eta vs tors. theta energy: -78.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -996.562246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.562246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.562246 (E_RNA)
where:
Base-Base interactions energy: -674.875
where: short stacking energy: -290.634
Base-Backbone interact. energy: -0.543
local terms energy: -321.144714
where:
bonds (distance) C4'-P energy: -61.084
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -75.859
flat angles P-C4'-P energy: -44.112
tors. eta vs tors. theta energy: -80.060
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: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -872.964873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.964873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.964873 (E_RNA)
where:
Base-Base interactions energy: -590.832
where: short stacking energy: -249.889
Base-Backbone interact. energy: -0.117
local terms energy: -282.015746
where:
bonds (distance) C4'-P energy: -71.162
bonds (distance) P-C4' energy: -66.757
flat angles C4'-P-C4' energy: -59.204
flat angles P-C4'-P energy: -29.916
tors. eta vs tors. theta energy: -54.976
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: 238
Temperature: 1.350000
Total energy: -668.707335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.707335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.707335 (E_RNA)
where:
Base-Base interactions energy: -437.796
where: short stacking energy: -184.691
Base-Backbone interact. energy: 3.458
local terms energy: -234.368975
where:
bonds (distance) C4'-P energy: -72.206
bonds (distance) P-C4' energy: -61.071
flat angles C4'-P-C4' energy: -59.414
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: -18.941
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: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1486.504723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.504723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.504723 (E_RNA)
where:
Base-Base interactions energy: -1068.657
where: short stacking energy: -429.981
Base-Backbone interact. energy: -1.347
local terms energy: -416.501333
where:
bonds (distance) C4'-P energy: -70.678
bonds (distance) P-C4' energy: -74.915
flat angles C4'-P-C4' energy: -86.390
flat angles P-C4'-P energy: -65.229
tors. eta vs tors. theta energy: -119.290
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: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1338.052885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.052885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.052885 (E_RNA)
where:
Base-Base interactions energy: -950.397
where: short stacking energy: -389.523
Base-Backbone interact. energy: -1.662
local terms energy: -385.994785
where:
bonds (distance) C4'-P energy: -71.519
bonds (distance) P-C4' energy: -62.329
flat angles C4'-P-C4' energy: -87.802
flat angles P-C4'-P energy: -53.224
tors. eta vs tors. theta energy: -111.121
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: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1289.223887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.223887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.223887 (E_RNA)
where:
Base-Base interactions energy: -917.763
where: short stacking energy: -390.801
Base-Backbone interact. energy: 1.738
local terms energy: -373.199264
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -67.244
flat angles C4'-P-C4' energy: -87.904
flat angles P-C4'-P energy: -47.254
tors. eta vs tors. theta energy: -108.507
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: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1231.408283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.408283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.408283 (E_RNA)
where:
Base-Base interactions energy: -883.764
where: short stacking energy: -370.747
Base-Backbone interact. energy: -1.971
local terms energy: -345.673913
where:
bonds (distance) C4'-P energy: -67.301
bonds (distance) P-C4' energy: -58.711
flat angles C4'-P-C4' energy: -79.547
flat angles P-C4'-P energy: -45.098
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: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1155.938715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.938715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.938715 (E_RNA)
where:
Base-Base interactions energy: -816.222
where: short stacking energy: -337.560
Base-Backbone interact. energy: 2.029
local terms energy: -341.745599
where:
bonds (distance) C4'-P energy: -57.170
bonds (distance) P-C4' energy: -66.098
flat angles C4'-P-C4' energy: -78.618
flat angles P-C4'-P energy: -47.123
tors. eta vs tors. theta energy: -92.736
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: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1170.718156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.718156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.718156 (E_RNA)
where:
Base-Base interactions energy: -821.351
where: short stacking energy: -341.022
Base-Backbone interact. energy: 2.012
local terms energy: -351.378990
where:
bonds (distance) C4'-P energy: -60.180
bonds (distance) P-C4' energy: -68.847
flat angles C4'-P-C4' energy: -77.147
flat angles P-C4'-P energy: -53.401
tors. eta vs tors. theta energy: -91.803
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: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1076.872140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.872140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.872140 (E_RNA)
where:
Base-Base interactions energy: -733.902
where: short stacking energy: -315.848
Base-Backbone interact. energy: -2.363
local terms energy: -340.607574
where:
bonds (distance) C4'-P energy: -63.960
bonds (distance) P-C4' energy: -68.445
flat angles C4'-P-C4' energy: -64.337
flat angles P-C4'-P energy: -50.991
tors. eta vs tors. theta energy: -92.875
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: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -919.413167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.413167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.413167 (E_RNA)
where:
Base-Base interactions energy: -628.975
where: short stacking energy: -260.062
Base-Backbone interact. energy: -0.729
local terms energy: -289.708724
where:
bonds (distance) C4'-P energy: -66.596
bonds (distance) P-C4' energy: -61.870
flat angles C4'-P-C4' energy: -68.815
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -53.558
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: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -966.179482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.179482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.179482 (E_RNA)
where:
Base-Base interactions energy: -672.731
where: short stacking energy: -280.034
Base-Backbone interact. energy: 2.937
local terms energy: -296.384778
where:
bonds (distance) C4'-P energy: -55.820
bonds (distance) P-C4' energy: -66.118
flat angles C4'-P-C4' energy: -61.076
flat angles P-C4'-P energy: -41.889
tors. eta vs tors. theta energy: -71.482
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: 239
Temperature: 1.350000
Total energy: -653.128020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.128020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.128020 (E_RNA)
where:
Base-Base interactions energy: -428.746
where: short stacking energy: -172.041
Base-Backbone interact. energy: 0.704
local terms energy: -225.085981
where:
bonds (distance) C4'-P energy: -57.147
bonds (distance) P-C4' energy: -56.647
flat angles C4'-P-C4' energy: -61.226
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -24.852
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: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1489.456604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.456604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.456604 (E_RNA)
where:
Base-Base interactions energy: -1086.737
where: short stacking energy: -430.438
Base-Backbone interact. energy: 0.019
local terms energy: -402.739306
where:
bonds (distance) C4'-P energy: -78.139
bonds (distance) P-C4' energy: -66.977
flat angles C4'-P-C4' energy: -84.775
flat angles P-C4'-P energy: -57.882
tors. eta vs tors. theta energy: -114.966
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: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1335.803734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.803734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.803734 (E_RNA)
where:
Base-Base interactions energy: -930.097
where: short stacking energy: -391.567
Base-Backbone interact. energy: 0.192
local terms energy: -405.898482
where:
bonds (distance) C4'-P energy: -66.224
bonds (distance) P-C4' energy: -85.988
flat angles C4'-P-C4' energy: -82.524
flat angles P-C4'-P energy: -62.199
tors. eta vs tors. theta energy: -108.963
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: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1304.906136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.906136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.906136 (E_RNA)
where:
Base-Base interactions energy: -917.680
where: short stacking energy: -393.643
Base-Backbone interact. energy: -0.453
local terms energy: -386.773533
where:
bonds (distance) C4'-P energy: -61.244
bonds (distance) P-C4' energy: -75.336
flat angles C4'-P-C4' energy: -80.087
flat angles P-C4'-P energy: -56.896
tors. eta vs tors. theta energy: -113.211
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: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1242.261046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.261046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.261046 (E_RNA)
where:
Base-Base interactions energy: -872.167
where: short stacking energy: -356.352
Base-Backbone interact. energy: -1.959
local terms energy: -368.135205
where:
bonds (distance) C4'-P energy: -70.511
bonds (distance) P-C4' energy: -63.697
flat angles C4'-P-C4' energy: -81.782
flat angles P-C4'-P energy: -58.394
tors. eta vs tors. theta energy: -93.752
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: 240
Temperature: 1.100000
Total energy: -1194.921167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.921167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.921167 (E_RNA)
where:
Base-Base interactions energy: -826.933
where: short stacking energy: -339.432
Base-Backbone interact. energy: 1.647
local terms energy: -369.635517
where:
bonds (distance) C4'-P energy: -73.466
bonds (distance) P-C4' energy: -71.428
flat angles C4'-P-C4' energy: -76.921
flat angles P-C4'-P energy: -53.367
tors. eta vs tors. theta energy: -94.453
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: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1127.727005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.727005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.727005 (E_RNA)
where:
Base-Base interactions energy: -811.357
where: short stacking energy: -343.084
Base-Backbone interact. energy: -1.020
local terms energy: -315.349695
where:
bonds (distance) C4'-P energy: -46.673
bonds (distance) P-C4' energy: -63.083
flat angles C4'-P-C4' energy: -68.210
flat angles P-C4'-P energy: -44.603
tors. eta vs tors. theta energy: -92.780
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: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1075.614790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.614790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.614790 (E_RNA)
where:
Base-Base interactions energy: -742.294
where: short stacking energy: -324.792
Base-Backbone interact. energy: 0.396
local terms energy: -333.716501
where:
bonds (distance) C4'-P energy: -76.146
bonds (distance) P-C4' energy: -45.395
flat angles C4'-P-C4' energy: -73.669
flat angles P-C4'-P energy: -48.388
tors. eta vs tors. theta energy: -90.119
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: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -936.611565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.611565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.611565 (E_RNA)
where:
Base-Base interactions energy: -642.610
where: short stacking energy: -279.913
Base-Backbone interact. energy: -0.995
local terms energy: -293.007043
where:
bonds (distance) C4'-P energy: -58.288
bonds (distance) P-C4' energy: -66.001
flat angles C4'-P-C4' energy: -60.225
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -63.801
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: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -936.818246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.818246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.818246 (E_RNA)
where:
Base-Base interactions energy: -637.904
where: short stacking energy: -264.968
Base-Backbone interact. energy: -0.478
local terms energy: -298.436413
where:
bonds (distance) C4'-P energy: -65.620
bonds (distance) P-C4' energy: -64.780
flat angles C4'-P-C4' energy: -70.425
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: -59.403
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: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -697.720645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.720645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.720645 (E_RNA)
where:
Base-Base interactions energy: -443.894
where: short stacking energy: -208.511
Base-Backbone interact. energy: 0.227
local terms energy: -254.053965
where:
bonds (distance) C4'-P energy: -53.103
bonds (distance) P-C4' energy: -57.180
flat angles C4'-P-C4' energy: -65.339
flat angles P-C4'-P energy: -53.562
tors. eta vs tors. theta energy: -24.869
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: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1470.483626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.483626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.483626 (E_RNA)
where:
Base-Base interactions energy: -1062.628
where: short stacking energy: -425.890
Base-Backbone interact. energy: 0.416
local terms energy: -408.270833
where:
bonds (distance) C4'-P energy: -73.383
bonds (distance) P-C4' energy: -70.277
flat angles C4'-P-C4' energy: -83.595
flat angles P-C4'-P energy: -64.152
tors. eta vs tors. theta energy: -116.863
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: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1338.437598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.437598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.437598 (E_RNA)
where:
Base-Base interactions energy: -946.510
where: short stacking energy: -399.222
Base-Backbone interact. energy: -1.672
local terms energy: -390.256016
where:
bonds (distance) C4'-P energy: -62.373
bonds (distance) P-C4' energy: -74.803
flat angles C4'-P-C4' energy: -81.793
flat angles P-C4'-P energy: -59.036
tors. eta vs tors. theta energy: -112.250
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: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1293.581058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.581058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.581058 (E_RNA)
where:
Base-Base interactions energy: -919.817
where: short stacking energy: -384.824
Base-Backbone interact. energy: -0.467
local terms energy: -373.296391
where:
bonds (distance) C4'-P energy: -64.399
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -87.357
flat angles P-C4'-P energy: -56.943
tors. eta vs tors. theta energy: -103.193
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: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1246.585045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.585045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.585045 (E_RNA)
where:
Base-Base interactions energy: -877.398
where: short stacking energy: -373.869
Base-Backbone interact. energy: -1.179
local terms energy: -368.008681
where:
bonds (distance) C4'-P energy: -65.310
bonds (distance) P-C4' energy: -66.039
flat angles C4'-P-C4' energy: -84.556
flat angles P-C4'-P energy: -46.640
tors. eta vs tors. theta energy: -105.464
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: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1242.947690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.947690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.947690 (E_RNA)
where:
Base-Base interactions energy: -871.137
where: short stacking energy: -353.442
Base-Backbone interact. energy: -0.688
local terms energy: -371.123390
where:
bonds (distance) C4'-P energy: -71.684
bonds (distance) P-C4' energy: -75.120
flat angles C4'-P-C4' energy: -82.676
flat angles P-C4'-P energy: -51.597
tors. eta vs tors. theta energy: -90.046
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: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1136.251210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.251210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.251210 (E_RNA)
where:
Base-Base interactions energy: -791.904
where: short stacking energy: -322.421
Base-Backbone interact. energy: -0.895
local terms energy: -343.452088
where:
bonds (distance) C4'-P energy: -59.108
bonds (distance) P-C4' energy: -73.783
flat angles C4'-P-C4' energy: -77.487
flat angles P-C4'-P energy: -44.051
tors. eta vs tors. theta energy: -89.023
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: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1060.159042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.159042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.159042 (E_RNA)
where:
Base-Base interactions energy: -742.667
where: short stacking energy: -317.033
Base-Backbone interact. energy: -0.142
local terms energy: -317.350154
where:
bonds (distance) C4'-P energy: -44.800
bonds (distance) P-C4' energy: -58.622
flat angles C4'-P-C4' energy: -82.990
flat angles P-C4'-P energy: -46.018
tors. eta vs tors. theta energy: -84.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -995.090454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.090454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.090454 (E_RNA)
where:
Base-Base interactions energy: -677.848
where: short stacking energy: -286.792
Base-Backbone interact. energy: -0.610
local terms energy: -316.632194
where:
bonds (distance) C4'-P energy: -71.091
bonds (distance) P-C4' energy: -68.673
flat angles C4'-P-C4' energy: -73.004
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -65.352
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: 241
Temperature: 1.300000
Total energy: -885.448424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.448424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.448424 (E_RNA)
where:
Base-Base interactions energy: -594.453
where: short stacking energy: -239.471
Base-Backbone interact. energy: 0.203
local terms energy: -291.198290
where:
bonds (distance) C4'-P energy: -56.445
bonds (distance) P-C4' energy: -70.585
flat angles C4'-P-C4' energy: -66.610
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -52.895
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: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -626.270529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.270529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.270529 (E_RNA)
where:
Base-Base interactions energy: -400.870
where: short stacking energy: -193.067
Base-Backbone interact. energy: -0.872
local terms energy: -224.528865
where:
bonds (distance) C4'-P energy: -69.502
bonds (distance) P-C4' energy: -38.913
flat angles C4'-P-C4' energy: -65.713
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -31.044
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: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1482.681727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.681727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.681727 (E_RNA)
where:
Base-Base interactions energy: -1049.197
where: short stacking energy: -432.921
Base-Backbone interact. energy: -1.965
local terms energy: -431.519999
where:
bonds (distance) C4'-P energy: -81.007
bonds (distance) P-C4' energy: -83.411
flat angles C4'-P-C4' energy: -88.408
flat angles P-C4'-P energy: -51.648
tors. eta vs tors. theta energy: -127.046
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: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1353.891488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.891488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.891488 (E_RNA)
where:
Base-Base interactions energy: -943.483
where: short stacking energy: -404.704
Base-Backbone interact. energy: 0.599
local terms energy: -411.008130
where:
bonds (distance) C4'-P energy: -78.641
bonds (distance) P-C4' energy: -73.425
flat angles C4'-P-C4' energy: -88.246
flat angles P-C4'-P energy: -57.441
tors. eta vs tors. theta energy: -113.255
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: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1283.257910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.257910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.257910 (E_RNA)
where:
Base-Base interactions energy: -889.979
where: short stacking energy: -377.649
Base-Backbone interact. energy: -1.162
local terms energy: -392.116470
where:
bonds (distance) C4'-P energy: -68.694
bonds (distance) P-C4' energy: -77.153
flat angles C4'-P-C4' energy: -80.851
flat angles P-C4'-P energy: -61.220
tors. eta vs tors. theta energy: -104.199
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: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1248.763663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.763663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.763663 (E_RNA)
where:
Base-Base interactions energy: -894.640
where: short stacking energy: -377.826
Base-Backbone interact. energy: 1.732
local terms energy: -355.856035
where:
bonds (distance) C4'-P energy: -70.437
bonds (distance) P-C4' energy: -60.068
flat angles C4'-P-C4' energy: -71.837
flat angles P-C4'-P energy: -48.760
tors. eta vs tors. theta energy: -104.754
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: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1181.913333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.913333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.913333 (E_RNA)
where:
Base-Base interactions energy: -830.213
where: short stacking energy: -349.756
Base-Backbone interact. energy: -2.475
local terms energy: -349.225024
where:
bonds (distance) C4'-P energy: -60.208
bonds (distance) P-C4' energy: -68.572
flat angles C4'-P-C4' energy: -77.233
flat angles P-C4'-P energy: -51.910
tors. eta vs tors. theta energy: -91.303
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: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1146.179718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.179718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.179718 (E_RNA)
where:
Base-Base interactions energy: -796.306
where: short stacking energy: -338.823
Base-Backbone interact. energy: -3.243
local terms energy: -346.631296
where:
bonds (distance) C4'-P energy: -60.597
bonds (distance) P-C4' energy: -72.413
flat angles C4'-P-C4' energy: -73.365
flat angles P-C4'-P energy: -45.364
tors. eta vs tors. theta energy: -94.892
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: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1029.216447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.216447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.216447 (E_RNA)
where:
Base-Base interactions energy: -700.269
where: short stacking energy: -289.575
Base-Backbone interact. energy: -0.155
local terms energy: -328.793142
where:
bonds (distance) C4'-P energy: -71.840
bonds (distance) P-C4' energy: -67.704
flat angles C4'-P-C4' energy: -76.438
flat angles P-C4'-P energy: -41.877
tors. eta vs tors. theta energy: -70.934
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: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -950.604822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.604822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.604822 (E_RNA)
where:
Base-Base interactions energy: -661.282
where: short stacking energy: -273.149
Base-Backbone interact. energy: -0.307
local terms energy: -289.016551
where:
bonds (distance) C4'-P energy: -44.991
bonds (distance) P-C4' energy: -66.017
flat angles C4'-P-C4' energy: -73.861
flat angles P-C4'-P energy: -38.637
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: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -807.893318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.893318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.893318 (E_RNA)
where:
Base-Base interactions energy: -549.184
where: short stacking energy: -226.597
Base-Backbone interact. energy: -1.076
local terms energy: -257.632635
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -61.105
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -43.530
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: 242
Temperature: 1.350000
Total energy: -617.291015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.291015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.291015 (E_RNA)
where:
Base-Base interactions energy: -398.863
where: short stacking energy: -183.624
Base-Backbone interact. energy: 2.676
local terms energy: -221.103412
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -55.580
flat angles C4'-P-C4' energy: -67.273
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -14.675
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: 243
Temperature: 0.900000
Total energy: -1483.169371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.169371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.169371 (E_RNA)
where:
Base-Base interactions energy: -1063.167
where: short stacking energy: -447.595
Base-Backbone interact. energy: -2.396
local terms energy: -417.605947
where:
bonds (distance) C4'-P energy: -68.371
bonds (distance) P-C4' energy: -76.357
flat angles C4'-P-C4' energy: -81.301
flat angles P-C4'-P energy: -68.570
tors. eta vs tors. theta energy: -123.008
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: 243
Temperature: 0.950000
Total energy: -1358.544024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.544024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.544024 (E_RNA)
where:
Base-Base interactions energy: -945.676
where: short stacking energy: -398.408
Base-Backbone interact. energy: 2.577
local terms energy: -415.445275
where:
bonds (distance) C4'-P energy: -81.578
bonds (distance) P-C4' energy: -73.048
flat angles C4'-P-C4' energy: -84.278
flat angles P-C4'-P energy: -66.789
tors. eta vs tors. theta energy: -109.751
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: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1306.192221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.192221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.192221 (E_RNA)
where:
Base-Base interactions energy: -909.317
where: short stacking energy: -396.900
Base-Backbone interact. energy: -0.997
local terms energy: -395.877971
where:
bonds (distance) C4'-P energy: -64.288
bonds (distance) P-C4' energy: -81.072
flat angles C4'-P-C4' energy: -85.210
flat angles P-C4'-P energy: -55.694
tors. eta vs tors. theta energy: -109.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1240.861032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.861032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.861032 (E_RNA)
where:
Base-Base interactions energy: -879.617
where: short stacking energy: -355.462
Base-Backbone interact. energy: -0.705
local terms energy: -360.539588
where:
bonds (distance) C4'-P energy: -72.790
bonds (distance) P-C4' energy: -73.389
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -52.853
tors. eta vs tors. theta energy: -87.204
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: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1197.927709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.927709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.927709 (E_RNA)
where:
Base-Base interactions energy: -873.795
where: short stacking energy: -356.933
Base-Backbone interact. energy: -0.875
local terms energy: -323.258058
where:
bonds (distance) C4'-P energy: -60.681
bonds (distance) P-C4' energy: -72.654
flat angles C4'-P-C4' energy: -67.353
flat angles P-C4'-P energy: -39.280
tors. eta vs tors. theta energy: -83.290
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: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1098.854614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.854614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.854614 (E_RNA)
where:
Base-Base interactions energy: -760.416
where: short stacking energy: -341.100
Base-Backbone interact. energy: 0.627
local terms energy: -339.066250
where:
bonds (distance) C4'-P energy: -57.820
bonds (distance) P-C4' energy: -66.991
flat angles C4'-P-C4' energy: -73.969
flat angles P-C4'-P energy: -43.571
tors. eta vs tors. theta energy: -96.715
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: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1095.042137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.042137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.042137 (E_RNA)
where:
Base-Base interactions energy: -747.198
where: short stacking energy: -327.153
Base-Backbone interact. energy: -0.240
local terms energy: -347.603945
where:
bonds (distance) C4'-P energy: -60.718
bonds (distance) P-C4' energy: -67.588
flat angles C4'-P-C4' energy: -80.474
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: -86.288
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: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -918.168470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.168470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.168470 (E_RNA)
where:
Base-Base interactions energy: -650.451
where: short stacking energy: -280.226
Base-Backbone interact. energy: -0.772
local terms energy: -266.945963
where:
bonds (distance) C4'-P energy: -63.144
bonds (distance) P-C4' energy: -59.947
flat angles C4'-P-C4' energy: -61.436
flat angles P-C4'-P energy: -26.048
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: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -812.941997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.941997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.941997 (E_RNA)
where:
Base-Base interactions energy: -550.477
where: short stacking energy: -232.725
Base-Backbone interact. energy: 0.006
local terms energy: -262.470897
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -50.201
flat angles C4'-P-C4' energy: -64.939
flat angles P-C4'-P energy: -50.469
tors. eta vs tors. theta energy: -49.547
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: 243
Temperature: 1.350000
Total energy: -636.555195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.555195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.555195 (E_RNA)
where:
Base-Base interactions energy: -375.428
where: short stacking energy: -167.805
Base-Backbone interact. energy: -2.773
local terms energy: -258.353863
where:
bonds (distance) C4'-P energy: -61.538
bonds (distance) P-C4' energy: -63.241
flat angles C4'-P-C4' energy: -68.606
flat angles P-C4'-P energy: -38.513
tors. eta vs tors. theta energy: -26.456
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: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1488.221304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.221304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.221304 (E_RNA)
where:
Base-Base interactions energy: -1062.393
where: short stacking energy: -449.816
Base-Backbone interact. energy: -0.729
local terms energy: -425.099303
where:
bonds (distance) C4'-P energy: -87.763
bonds (distance) P-C4' energy: -63.871
flat angles C4'-P-C4' energy: -88.016
flat angles P-C4'-P energy: -59.327
tors. eta vs tors. theta energy: -126.122
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: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1338.912107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.912107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.912107 (E_RNA)
where:
Base-Base interactions energy: -935.754
where: short stacking energy: -393.554
Base-Backbone interact. energy: -2.765
local terms energy: -400.393467
where:
bonds (distance) C4'-P energy: -66.109
bonds (distance) P-C4' energy: -74.925
flat angles C4'-P-C4' energy: -91.830
flat angles P-C4'-P energy: -62.828
tors. eta vs tors. theta energy: -104.702
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: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1317.517702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.517702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.517702 (E_RNA)
where:
Base-Base interactions energy: -925.449
where: short stacking energy: -376.890
Base-Backbone interact. energy: -1.965
local terms energy: -390.103778
where:
bonds (distance) C4'-P energy: -60.718
bonds (distance) P-C4' energy: -75.175
flat angles C4'-P-C4' energy: -85.115
flat angles P-C4'-P energy: -56.224
tors. eta vs tors. theta energy: -112.872
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: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1217.818696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.818696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.818696 (E_RNA)
where:
Base-Base interactions energy: -871.308
where: short stacking energy: -365.320
Base-Backbone interact. energy: -2.715
local terms energy: -343.795589
where:
bonds (distance) C4'-P energy: -63.388
bonds (distance) P-C4' energy: -69.007
flat angles C4'-P-C4' energy: -69.642
flat angles P-C4'-P energy: -44.401
tors. eta vs tors. theta energy: -97.359
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: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1200.232301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.232301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.232301 (E_RNA)
where:
Base-Base interactions energy: -862.935
where: short stacking energy: -348.717
Base-Backbone interact. energy: -1.144
local terms energy: -336.153481
where:
bonds (distance) C4'-P energy: -56.073
bonds (distance) P-C4' energy: -57.603
flat angles C4'-P-C4' energy: -74.560
flat angles P-C4'-P energy: -58.204
tors. eta vs tors. theta energy: -89.714
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: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1131.604426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.604426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.604426 (E_RNA)
where:
Base-Base interactions energy: -772.475
where: short stacking energy: -341.904
Base-Backbone interact. energy: -1.314
local terms energy: -357.815087
where:
bonds (distance) C4'-P energy: -62.857
bonds (distance) P-C4' energy: -61.636
flat angles C4'-P-C4' energy: -83.231
flat angles P-C4'-P energy: -53.187
tors. eta vs tors. theta energy: -96.905
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: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1059.763955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.763955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.763955 (E_RNA)
where:
Base-Base interactions energy: -730.188
where: short stacking energy: -301.910
Base-Backbone interact. energy: -1.349
local terms energy: -328.227156
where:
bonds (distance) C4'-P energy: -57.856
bonds (distance) P-C4' energy: -63.301
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -87.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -950.557874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.557874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.557874 (E_RNA)
where:
Base-Base interactions energy: -644.064
where: short stacking energy: -275.818
Base-Backbone interact. energy: -1.372
local terms energy: -305.122043
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -73.794
flat angles C4'-P-C4' energy: -74.775
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -66.172
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: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -816.147996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.147996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.147996 (E_RNA)
where:
Base-Base interactions energy: -548.670
where: short stacking energy: -223.792
Base-Backbone interact. energy: -1.052
local terms energy: -266.425235
where:
bonds (distance) C4'-P energy: -64.919
bonds (distance) P-C4' energy: -61.304
flat angles C4'-P-C4' energy: -68.320
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -44.205
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: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -604.274511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.274511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.274511 (E_RNA)
where:
Base-Base interactions energy: -366.259
where: short stacking energy: -150.761
Base-Backbone interact. energy: -0.084
local terms energy: -237.931713
where:
bonds (distance) C4'-P energy: -69.430
bonds (distance) P-C4' energy: -70.776
flat angles C4'-P-C4' energy: -59.364
flat angles P-C4'-P energy: -32.660
tors. eta vs tors. theta energy: -5.701
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: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1475.501501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.501501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.501501 (E_RNA)
where:
Base-Base interactions energy: -1059.066
where: short stacking energy: -438.113
Base-Backbone interact. energy: -0.829
local terms energy: -415.607346
where:
bonds (distance) C4'-P energy: -69.802
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -92.900
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: -120.389
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: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1362.492168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.492168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.492168 (E_RNA)
where:
Base-Base interactions energy: -953.440
where: short stacking energy: -413.653
Base-Backbone interact. energy: -3.061
local terms energy: -405.991307
where:
bonds (distance) C4'-P energy: -81.966
bonds (distance) P-C4' energy: -64.821
flat angles C4'-P-C4' energy: -89.912
flat angles P-C4'-P energy: -56.287
tors. eta vs tors. theta energy: -113.006
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: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1322.745415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.745415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.745415 (E_RNA)
where:
Base-Base interactions energy: -940.686
where: short stacking energy: -388.577
Base-Backbone interact. energy: 1.785
local terms energy: -383.844721
where:
bonds (distance) C4'-P energy: -71.986
bonds (distance) P-C4' energy: -74.162
flat angles C4'-P-C4' energy: -89.606
flat angles P-C4'-P energy: -44.271
tors. eta vs tors. theta energy: -103.819
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: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1211.642778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.642778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.642778 (E_RNA)
where:
Base-Base interactions energy: -866.140
where: short stacking energy: -354.482
Base-Backbone interact. energy: -1.322
local terms energy: -344.180986
where:
bonds (distance) C4'-P energy: -68.660
bonds (distance) P-C4' energy: -57.252
flat angles C4'-P-C4' energy: -76.526
flat angles P-C4'-P energy: -56.338
tors. eta vs tors. theta energy: -85.405
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: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1239.116775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.116775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.116775 (E_RNA)
where:
Base-Base interactions energy: -889.846
where: short stacking energy: -358.085
Base-Backbone interact. energy: 0.824
local terms energy: -350.094173
where:
bonds (distance) C4'-P energy: -69.515
bonds (distance) P-C4' energy: -65.503
flat angles C4'-P-C4' energy: -75.672
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -95.818
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: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1074.988461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.988461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.988461 (E_RNA)
where:
Base-Base interactions energy: -729.838
where: short stacking energy: -304.549
Base-Backbone interact. energy: -0.271
local terms energy: -344.878539
where:
bonds (distance) C4'-P energy: -76.258
bonds (distance) P-C4' energy: -60.355
flat angles C4'-P-C4' energy: -67.328
flat angles P-C4'-P energy: -51.479
tors. eta vs tors. theta energy: -89.459
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: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1135.852070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.852070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.852070 (E_RNA)
where:
Base-Base interactions energy: -811.872
where: short stacking energy: -348.228
Base-Backbone interact. energy: -0.941
local terms energy: -323.039147
where:
bonds (distance) C4'-P energy: -57.652
bonds (distance) P-C4' energy: -57.569
flat angles C4'-P-C4' energy: -71.458
flat angles P-C4'-P energy: -40.143
tors. eta vs tors. theta energy: -96.217
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: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1015.894775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.894775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.894775 (E_RNA)
where:
Base-Base interactions energy: -697.130
where: short stacking energy: -297.508
Base-Backbone interact. energy: -0.463
local terms energy: -318.301518
where:
bonds (distance) C4'-P energy: -65.205
bonds (distance) P-C4' energy: -68.673
flat angles C4'-P-C4' energy: -64.433
flat angles P-C4'-P energy: -48.066
tors. eta vs tors. theta energy: -71.924
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: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -857.018295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.018295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.018295 (E_RNA)
where:
Base-Base interactions energy: -584.091
where: short stacking energy: -250.129
Base-Backbone interact. energy: -0.653
local terms energy: -272.274495
where:
bonds (distance) C4'-P energy: -56.385
bonds (distance) P-C4' energy: -68.729
flat angles C4'-P-C4' energy: -53.412
flat angles P-C4'-P energy: -38.299
tors. eta vs tors. theta energy: -55.450
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: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -590.268935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.268935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.268935 (E_RNA)
where:
Base-Base interactions energy: -367.158
where: short stacking energy: -152.020
Base-Backbone interact. energy: -1.652
local terms energy: -221.459738
where:
bonds (distance) C4'-P energy: -53.624
bonds (distance) P-C4' energy: -64.570
flat angles C4'-P-C4' energy: -53.377
flat angles P-C4'-P energy: -38.450
tors. eta vs tors. theta energy: -11.439
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: 246
Temperature: 0.900000
Total energy: -1487.744016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.744016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.744016 (E_RNA)
where:
Base-Base interactions energy: -1056.686
where: short stacking energy: -430.113
Base-Backbone interact. energy: 0.641
local terms energy: -431.698515
where:
bonds (distance) C4'-P energy: -77.780
bonds (distance) P-C4' energy: -78.683
flat angles C4'-P-C4' energy: -91.074
flat angles P-C4'-P energy: -61.892
tors. eta vs tors. theta energy: -122.269
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: 246
Temperature: 0.950000
Total energy: -1334.475288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.475288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.475288 (E_RNA)
where:
Base-Base interactions energy: -944.724
where: short stacking energy: -390.795
Base-Backbone interact. energy: -0.036
local terms energy: -389.715775
where:
bonds (distance) C4'-P energy: -68.380
bonds (distance) P-C4' energy: -73.468
flat angles C4'-P-C4' energy: -81.375
flat angles P-C4'-P energy: -61.817
tors. eta vs tors. theta energy: -104.677
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: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1293.865444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.865444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.865444 (E_RNA)
where:
Base-Base interactions energy: -917.438
where: short stacking energy: -366.408
Base-Backbone interact. energy: -1.225
local terms energy: -375.202239
where:
bonds (distance) C4'-P energy: -69.489
bonds (distance) P-C4' energy: -76.521
flat angles C4'-P-C4' energy: -70.865
flat angles P-C4'-P energy: -54.756
tors. eta vs tors. theta energy: -103.571
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: 4, replica: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1201.684903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.684903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.684903 (E_RNA)
where:
Base-Base interactions energy: -839.726
where: short stacking energy: -330.892
Base-Backbone interact. energy: -1.187
local terms energy: -360.772283
where:
bonds (distance) C4'-P energy: -72.734
bonds (distance) P-C4' energy: -78.985
flat angles C4'-P-C4' energy: -78.828
flat angles P-C4'-P energy: -49.126
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: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1240.546471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.546471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.546471 (E_RNA)
where:
Base-Base interactions energy: -867.262
where: short stacking energy: -351.097
Base-Backbone interact. energy: -0.718
local terms energy: -372.566394
where:
bonds (distance) C4'-P energy: -68.426
bonds (distance) P-C4' energy: -69.021
flat angles C4'-P-C4' energy: -83.311
flat angles P-C4'-P energy: -52.616
tors. eta vs tors. theta energy: -99.193
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: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1086.674614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.674614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.674614 (E_RNA)
where:
Base-Base interactions energy: -747.526
where: short stacking energy: -325.146
Base-Backbone interact. energy: 0.035
local terms energy: -339.183766
where:
bonds (distance) C4'-P energy: -61.129
bonds (distance) P-C4' energy: -77.234
flat angles C4'-P-C4' energy: -82.595
flat angles P-C4'-P energy: -37.369
tors. eta vs tors. theta energy: -80.857
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: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1074.419513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.419513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.419513 (E_RNA)
where:
Base-Base interactions energy: -741.202
where: short stacking energy: -320.858
Base-Backbone interact. energy: -1.270
local terms energy: -331.946960
where:
bonds (distance) C4'-P energy: -68.402
bonds (distance) P-C4' energy: -62.521
flat angles C4'-P-C4' energy: -62.825
flat angles P-C4'-P energy: -51.067
tors. eta vs tors. theta energy: -87.132
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: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1014.352089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.352089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.352089 (E_RNA)
where:
Base-Base interactions energy: -694.564
where: short stacking energy: -292.697
Base-Backbone interact. energy: 0.198
local terms energy: -319.985734
where:
bonds (distance) C4'-P energy: -55.765
bonds (distance) P-C4' energy: -59.974
flat angles C4'-P-C4' energy: -77.471
flat angles P-C4'-P energy: -48.965
tors. eta vs tors. theta energy: -77.811
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: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -785.246185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.246185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.246185 (E_RNA)
where:
Base-Base interactions energy: -523.659
where: short stacking energy: -226.035
Base-Backbone interact. energy: 1.061
local terms energy: -262.648735
where:
bonds (distance) C4'-P energy: -60.511
bonds (distance) P-C4' energy: -57.362
flat angles C4'-P-C4' energy: -61.277
flat angles P-C4'-P energy: -39.719
tors. eta vs tors. theta energy: -43.779
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: 246
Temperature: 1.350000
Total energy: -612.131839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.131839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.131839 (E_RNA)
where:
Base-Base interactions energy: -392.129
where: short stacking energy: -182.753
Base-Backbone interact. energy: 0.221
local terms energy: -220.224053
where:
bonds (distance) C4'-P energy: -58.359
bonds (distance) P-C4' energy: -47.269
flat angles C4'-P-C4' energy: -56.238
flat angles P-C4'-P energy: -29.595
tors. eta vs tors. theta energy: -28.764
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: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1492.548190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.548190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.548190 (E_RNA)
where:
Base-Base interactions energy: -1066.344
where: short stacking energy: -451.837
Base-Backbone interact. energy: -0.648
local terms energy: -425.556253
where:
bonds (distance) C4'-P energy: -73.606
bonds (distance) P-C4' energy: -77.675
flat angles C4'-P-C4' energy: -86.207
flat angles P-C4'-P energy: -59.801
tors. eta vs tors. theta energy: -128.267
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: 247
Temperature: 0.950000
Total energy: -1350.846025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.846025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.846025 (E_RNA)
where:
Base-Base interactions energy: -943.064
where: short stacking energy: -385.427
Base-Backbone interact. energy: -0.731
local terms energy: -407.051110
where:
bonds (distance) C4'-P energy: -80.282
bonds (distance) P-C4' energy: -80.003
flat angles C4'-P-C4' energy: -83.702
flat angles P-C4'-P energy: -55.053
tors. eta vs tors. theta energy: -108.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1301.672853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.672853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.672853 (E_RNA)
where:
Base-Base interactions energy: -909.674
where: short stacking energy: -368.748
Base-Backbone interact. energy: -0.536
local terms energy: -391.462555
where:
bonds (distance) C4'-P energy: -65.845
bonds (distance) P-C4' energy: -77.351
flat angles C4'-P-C4' energy: -84.176
flat angles P-C4'-P energy: -59.975
tors. eta vs tors. theta energy: -104.116
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: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1275.335943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.335943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.335943 (E_RNA)
where:
Base-Base interactions energy: -914.100
where: short stacking energy: -376.029
Base-Backbone interact. energy: -0.794
local terms energy: -360.441675
where:
bonds (distance) C4'-P energy: -70.901
bonds (distance) P-C4' energy: -74.328
flat angles C4'-P-C4' energy: -67.829
flat angles P-C4'-P energy: -49.762
tors. eta vs tors. theta energy: -97.622
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: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1185.097563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.097563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.097563 (E_RNA)
where:
Base-Base interactions energy: -833.393
where: short stacking energy: -351.343
Base-Backbone interact. energy: 3.340
local terms energy: -355.044827
where:
bonds (distance) C4'-P energy: -73.460
bonds (distance) P-C4' energy: -75.327
flat angles C4'-P-C4' energy: -75.377
flat angles P-C4'-P energy: -48.759
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: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1111.137836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.137836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.137836 (E_RNA)
where:
Base-Base interactions energy: -781.942
where: short stacking energy: -336.484
Base-Backbone interact. energy: -2.923
local terms energy: -326.272928
where:
bonds (distance) C4'-P energy: -60.593
bonds (distance) P-C4' energy: -69.857
flat angles C4'-P-C4' energy: -64.325
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: -85.481
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: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1084.650670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.650670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.650670 (E_RNA)
where:
Base-Base interactions energy: -739.772
where: short stacking energy: -322.900
Base-Backbone interact. energy: -0.343
local terms energy: -344.536507
where:
bonds (distance) C4'-P energy: -62.528
bonds (distance) P-C4' energy: -69.130
flat angles C4'-P-C4' energy: -71.932
flat angles P-C4'-P energy: -52.119
tors. eta vs tors. theta energy: -88.828
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: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1044.613850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.613850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.613850 (E_RNA)
where:
Base-Base interactions energy: -722.708
where: short stacking energy: -306.971
Base-Backbone interact. energy: -0.873
local terms energy: -321.033260
where:
bonds (distance) C4'-P energy: -70.177
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -75.304
flat angles P-C4'-P energy: -35.768
tors. eta vs tors. theta energy: -79.421
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: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -848.972971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.972971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.972971 (E_RNA)
where:
Base-Base interactions energy: -584.418
where: short stacking energy: -255.650
Base-Backbone interact. energy: 0.071
local terms energy: -264.626366
where:
bonds (distance) C4'-P energy: -53.844
bonds (distance) P-C4' energy: -47.961
flat angles C4'-P-C4' energy: -63.477
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -59.623
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: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -595.676203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.676203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.676203 (E_RNA)
where:
Base-Base interactions energy: -362.131
where: short stacking energy: -179.748
Base-Backbone interact. energy: 1.844
local terms energy: -235.389419
where:
bonds (distance) C4'-P energy: -57.501
bonds (distance) P-C4' energy: -65.430
flat angles C4'-P-C4' energy: -46.090
flat angles P-C4'-P energy: -38.782
tors. eta vs tors. theta energy: -27.586
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: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1478.907796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.907796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.907796 (E_RNA)
where:
Base-Base interactions energy: -1052.624
where: short stacking energy: -423.651
Base-Backbone interact. energy: -0.533
local terms energy: -425.750261
where:
bonds (distance) C4'-P energy: -73.291
bonds (distance) P-C4' energy: -71.880
flat angles C4'-P-C4' energy: -94.360
flat angles P-C4'-P energy: -59.777
tors. eta vs tors. theta energy: -126.443
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: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1354.545836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.545836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.545836 (E_RNA)
where:
Base-Base interactions energy: -947.629
where: short stacking energy: -390.003
Base-Backbone interact. energy: -3.234
local terms energy: -403.683026
where:
bonds (distance) C4'-P energy: -77.764
bonds (distance) P-C4' energy: -73.999
flat angles C4'-P-C4' energy: -80.198
flat angles P-C4'-P energy: -60.641
tors. eta vs tors. theta energy: -111.082
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: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1304.176943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.176943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.176943 (E_RNA)
where:
Base-Base interactions energy: -918.008
where: short stacking energy: -379.240
Base-Backbone interact. energy: -0.664
local terms energy: -385.505230
where:
bonds (distance) C4'-P energy: -78.523
bonds (distance) P-C4' energy: -73.935
flat angles C4'-P-C4' energy: -83.672
flat angles P-C4'-P energy: -47.154
tors. eta vs tors. theta energy: -102.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1265.093647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.093647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.093647 (E_RNA)
where:
Base-Base interactions energy: -892.640
where: short stacking energy: -347.678
Base-Backbone interact. energy: -1.790
local terms energy: -370.663208
where:
bonds (distance) C4'-P energy: -71.877
bonds (distance) P-C4' energy: -69.518
flat angles C4'-P-C4' energy: -87.469
flat angles P-C4'-P energy: -49.063
tors. eta vs tors. theta energy: -92.736
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: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1214.340928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.340928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.340928 (E_RNA)
where:
Base-Base interactions energy: -857.211
where: short stacking energy: -342.976
Base-Backbone interact. energy: 1.776
local terms energy: -358.906754
where:
bonds (distance) C4'-P energy: -66.196
bonds (distance) P-C4' energy: -77.874
flat angles C4'-P-C4' energy: -73.568
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -99.450
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: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1092.763706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.763706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.763706 (E_RNA)
where:
Base-Base interactions energy: -761.796
where: short stacking energy: -328.608
Base-Backbone interact. energy: -1.877
local terms energy: -329.091229
where:
bonds (distance) C4'-P energy: -62.902
bonds (distance) P-C4' energy: -61.020
flat angles C4'-P-C4' energy: -77.433
flat angles P-C4'-P energy: -37.936
tors. eta vs tors. theta energy: -89.800
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: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1098.889278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.889278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.889278 (E_RNA)
where:
Base-Base interactions energy: -753.836
where: short stacking energy: -304.126
Base-Backbone interact. energy: -2.601
local terms energy: -342.452719
where:
bonds (distance) C4'-P energy: -59.855
bonds (distance) P-C4' energy: -69.406
flat angles C4'-P-C4' energy: -82.017
flat angles P-C4'-P energy: -48.284
tors. eta vs tors. theta energy: -82.889
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: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1015.959159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.959159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.959159 (E_RNA)
where:
Base-Base interactions energy: -707.884
where: short stacking energy: -302.914
Base-Backbone interact. energy: 2.717
local terms energy: -310.792183
where:
bonds (distance) C4'-P energy: -54.245
bonds (distance) P-C4' energy: -69.927
flat angles C4'-P-C4' energy: -67.059
flat angles P-C4'-P energy: -43.132
tors. eta vs tors. theta energy: -76.429
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: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -892.845238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.845238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.845238 (E_RNA)
where:
Base-Base interactions energy: -602.464
where: short stacking energy: -254.959
Base-Backbone interact. energy: 1.236
local terms energy: -291.616700
where:
bonds (distance) C4'-P energy: -55.002
bonds (distance) P-C4' energy: -67.541
flat angles C4'-P-C4' energy: -62.339
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -60.744
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: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -537.662130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.662130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.662130 (E_RNA)
where:
Base-Base interactions energy: -329.806
where: short stacking energy: -143.643
Base-Backbone interact. energy: 7.401
local terms energy: -215.256853
where:
bonds (distance) C4'-P energy: -60.696
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -65.678
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -15.748
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: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1485.522799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.522799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.522799 (E_RNA)
where:
Base-Base interactions energy: -1058.682
where: short stacking energy: -439.347
Base-Backbone interact. energy: -0.587
local terms energy: -426.253383
where:
bonds (distance) C4'-P energy: -78.232
bonds (distance) P-C4' energy: -79.096
flat angles C4'-P-C4' energy: -89.607
flat angles P-C4'-P energy: -52.544
tors. eta vs tors. theta energy: -126.774
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: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1369.918580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.918580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.918580 (E_RNA)
where:
Base-Base interactions energy: -968.022
where: short stacking energy: -400.650
Base-Backbone interact. energy: -1.757
local terms energy: -400.139308
where:
bonds (distance) C4'-P energy: -70.289
bonds (distance) P-C4' energy: -70.933
flat angles C4'-P-C4' energy: -85.927
flat angles P-C4'-P energy: -60.681
tors. eta vs tors. theta energy: -112.310
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: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1324.453801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.453801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.453801 (E_RNA)
where:
Base-Base interactions energy: -947.282
where: short stacking energy: -399.735
Base-Backbone interact. energy: 1.408
local terms energy: -378.580094
where:
bonds (distance) C4'-P energy: -67.884
bonds (distance) P-C4' energy: -69.602
flat angles C4'-P-C4' energy: -79.539
flat angles P-C4'-P energy: -52.488
tors. eta vs tors. theta energy: -109.067
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: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1298.463597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.463597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.463597 (E_RNA)
where:
Base-Base interactions energy: -932.686
where: short stacking energy: -379.026
Base-Backbone interact. energy: -2.548
local terms energy: -363.229169
where:
bonds (distance) C4'-P energy: -63.004
bonds (distance) P-C4' energy: -65.504
flat angles C4'-P-C4' energy: -85.329
flat angles P-C4'-P energy: -50.861
tors. eta vs tors. theta energy: -98.532
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: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1231.954499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.954499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.954499 (E_RNA)
where:
Base-Base interactions energy: -883.890
where: short stacking energy: -376.789
Base-Backbone interact. energy: -3.323
local terms energy: -344.740980
where:
bonds (distance) C4'-P energy: -50.077
bonds (distance) P-C4' energy: -65.749
flat angles C4'-P-C4' energy: -73.958
flat angles P-C4'-P energy: -54.103
tors. eta vs tors. theta energy: -100.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1123.628731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.628731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.628731 (E_RNA)
where:
Base-Base interactions energy: -775.466
where: short stacking energy: -333.677
Base-Backbone interact. energy: -0.790
local terms energy: -347.372977
where:
bonds (distance) C4'-P energy: -72.826
bonds (distance) P-C4' energy: -64.052
flat angles C4'-P-C4' energy: -77.637
flat angles P-C4'-P energy: -43.091
tors. eta vs tors. theta energy: -89.767
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: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1058.527774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.527774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.527774 (E_RNA)
where:
Base-Base interactions energy: -745.313
where: short stacking energy: -302.047
Base-Backbone interact. energy: -0.834
local terms energy: -312.381300
where:
bonds (distance) C4'-P energy: -57.085
bonds (distance) P-C4' energy: -62.881
flat angles C4'-P-C4' energy: -64.164
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -97.514
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: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -992.251880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.251880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.251880 (E_RNA)
where:
Base-Base interactions energy: -660.026
where: short stacking energy: -282.754
Base-Backbone interact. energy: 0.725
local terms energy: -332.950828
where:
bonds (distance) C4'-P energy: -52.441
bonds (distance) P-C4' energy: -79.722
flat angles C4'-P-C4' energy: -71.786
flat angles P-C4'-P energy: -54.786
tors. eta vs tors. theta energy: -74.216
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: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -905.346748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.346748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.346748 (E_RNA)
where:
Base-Base interactions energy: -624.143
where: short stacking energy: -275.581
Base-Backbone interact. energy: -0.803
local terms energy: -280.401096
where:
bonds (distance) C4'-P energy: -54.703
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -70.109
flat angles P-C4'-P energy: -45.525
tors. eta vs tors. theta energy: -61.746
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: 249
Temperature: 1.350000
Total energy: -532.937613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.937613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.937613 (E_RNA)
where:
Base-Base interactions energy: -300.532
where: short stacking energy: -130.356
Base-Backbone interact. energy: -3.265
local terms energy: -229.140437
where:
bonds (distance) C4'-P energy: -64.759
bonds (distance) P-C4' energy: -63.979
flat angles C4'-P-C4' energy: -57.986
flat angles P-C4'-P energy: -36.894
tors. eta vs tors. theta energy: -5.523
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: 250
Temperature: 0.900000
Total energy: -1487.990478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.990478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.990478 (E_RNA)
where:
Base-Base interactions energy: -1075.921
where: short stacking energy: -442.959
Base-Backbone interact. energy: -0.796
local terms energy: -411.273256
where:
bonds (distance) C4'-P energy: -66.790
bonds (distance) P-C4' energy: -75.215
flat angles C4'-P-C4' energy: -85.034
flat angles P-C4'-P energy: -53.875
tors. eta vs tors. theta energy: -130.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1361.206173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.206173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.206173 (E_RNA)
where:
Base-Base interactions energy: -969.938
where: short stacking energy: -393.134
Base-Backbone interact. energy: -0.087
local terms energy: -391.181082
where:
bonds (distance) C4'-P energy: -71.913
bonds (distance) P-C4' energy: -76.097
flat angles C4'-P-C4' energy: -87.857
flat angles P-C4'-P energy: -44.239
tors. eta vs tors. theta energy: -111.075
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: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1296.574639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.574639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.574639 (E_RNA)
where:
Base-Base interactions energy: -921.653
where: short stacking energy: -389.093
Base-Backbone interact. energy: -0.604
local terms energy: -374.317223
where:
bonds (distance) C4'-P energy: -78.086
bonds (distance) P-C4' energy: -65.940
flat angles C4'-P-C4' energy: -81.414
flat angles P-C4'-P energy: -44.054
tors. eta vs tors. theta energy: -104.823
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: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1292.355775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.355775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.355775 (E_RNA)
where:
Base-Base interactions energy: -920.488
where: short stacking energy: -363.935
Base-Backbone interact. energy: -1.307
local terms energy: -370.560191
where:
bonds (distance) C4'-P energy: -78.390
bonds (distance) P-C4' energy: -70.224
flat angles C4'-P-C4' energy: -69.443
flat angles P-C4'-P energy: -56.347
tors. eta vs tors. theta energy: -96.156
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: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1221.726000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.726000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.726000 (E_RNA)
where:
Base-Base interactions energy: -863.198
where: short stacking energy: -361.679
Base-Backbone interact. energy: -1.398
local terms energy: -357.130207
where:
bonds (distance) C4'-P energy: -60.952
bonds (distance) P-C4' energy: -69.574
flat angles C4'-P-C4' energy: -72.183
flat angles P-C4'-P energy: -54.877
tors. eta vs tors. theta energy: -99.543
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: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1123.591210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.591210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.591210 (E_RNA)
where:
Base-Base interactions energy: -768.526
where: short stacking energy: -327.083
Base-Backbone interact. energy: -2.606
local terms energy: -352.459484
where:
bonds (distance) C4'-P energy: -60.294
bonds (distance) P-C4' energy: -68.531
flat angles C4'-P-C4' energy: -81.188
flat angles P-C4'-P energy: -47.948
tors. eta vs tors. theta energy: -94.499
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: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1080.554937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.554937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.554937 (E_RNA)
where:
Base-Base interactions energy: -776.131
where: short stacking energy: -330.081
Base-Backbone interact. energy: 1.987
local terms energy: -306.410591
where:
bonds (distance) C4'-P energy: -45.885
bonds (distance) P-C4' energy: -51.971
flat angles C4'-P-C4' energy: -68.309
flat angles P-C4'-P energy: -45.860
tors. eta vs tors. theta energy: -94.386
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: 250
Temperature: 1.250000
Total energy: -1036.024240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.024240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.024240 (E_RNA)
where:
Base-Base interactions energy: -716.790
where: short stacking energy: -310.897
Base-Backbone interact. energy: -1.499
local terms energy: -317.734555
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -56.466
flat angles C4'-P-C4' energy: -71.342
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: -77.390
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: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -916.682975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.682975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.682975 (E_RNA)
where:
Base-Base interactions energy: -609.350
where: short stacking energy: -264.270
Base-Backbone interact. energy: -1.009
local terms energy: -306.323668
where:
bonds (distance) C4'-P energy: -60.975
bonds (distance) P-C4' energy: -70.820
flat angles C4'-P-C4' energy: -57.127
flat angles P-C4'-P energy: -42.165
tors. eta vs tors. theta energy: -75.237
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: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -567.546473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.546473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.546473 (E_RNA)
where:
Base-Base interactions energy: -347.848
where: short stacking energy: -177.156
Base-Backbone interact. energy: -0.153
local terms energy: -219.545940
where:
bonds (distance) C4'-P energy: -52.421
bonds (distance) P-C4' energy: -57.109
flat angles C4'-P-C4' energy: -51.798
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -27.781
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: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1490.774285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.774285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.774285 (E_RNA)
where:
Base-Base interactions energy: -1073.888
where: short stacking energy: -438.724
Base-Backbone interact. energy: -0.382
local terms energy: -416.504016
where:
bonds (distance) C4'-P energy: -69.292
bonds (distance) P-C4' energy: -73.614
flat angles C4'-P-C4' energy: -84.298
flat angles P-C4'-P energy: -66.411
tors. eta vs tors. theta energy: -122.889
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: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1358.673800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.673800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.673800 (E_RNA)
where:
Base-Base interactions energy: -946.749
where: short stacking energy: -387.904
Base-Backbone interact. energy: -0.551
local terms energy: -411.373021
where:
bonds (distance) C4'-P energy: -72.557
bonds (distance) P-C4' energy: -76.885
flat angles C4'-P-C4' energy: -86.579
flat angles P-C4'-P energy: -60.496
tors. eta vs tors. theta energy: -114.855
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: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1298.815791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.815791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.815791 (E_RNA)
where:
Base-Base interactions energy: -913.499
where: short stacking energy: -370.755
Base-Backbone interact. energy: -0.632
local terms energy: -384.684813
where:
bonds (distance) C4'-P energy: -79.077
bonds (distance) P-C4' energy: -70.235
flat angles C4'-P-C4' energy: -80.664
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -103.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1285.782097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.782097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.782097 (E_RNA)
where:
Base-Base interactions energy: -923.174
where: short stacking energy: -364.869
Base-Backbone interact. energy: -1.667
local terms energy: -360.940306
where:
bonds (distance) C4'-P energy: -67.852
bonds (distance) P-C4' energy: -72.443
flat angles C4'-P-C4' energy: -78.566
flat angles P-C4'-P energy: -49.687
tors. eta vs tors. theta energy: -92.392
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: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1217.473615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.473615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.473615 (E_RNA)
where:
Base-Base interactions energy: -853.363
where: short stacking energy: -358.612
Base-Backbone interact. energy: -1.344
local terms energy: -362.765859
where:
bonds (distance) C4'-P energy: -69.320
bonds (distance) P-C4' energy: -63.046
flat angles C4'-P-C4' energy: -75.189
flat angles P-C4'-P energy: -52.737
tors. eta vs tors. theta energy: -102.474
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: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1097.116271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.116271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.116271 (E_RNA)
where:
Base-Base interactions energy: -746.470
where: short stacking energy: -338.909
Base-Backbone interact. energy: -1.453
local terms energy: -349.194111
where:
bonds (distance) C4'-P energy: -66.936
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -75.859
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: -89.723
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: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1101.899345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.899345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.899345 (E_RNA)
where:
Base-Base interactions energy: -772.209
where: short stacking energy: -337.347
Base-Backbone interact. energy: -1.063
local terms energy: -328.627137
where:
bonds (distance) C4'-P energy: -61.511
bonds (distance) P-C4' energy: -50.823
flat angles C4'-P-C4' energy: -77.471
flat angles P-C4'-P energy: -45.125
tors. eta vs tors. theta energy: -93.697
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: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1002.672633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.672633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.672633 (E_RNA)
where:
Base-Base interactions energy: -692.167
where: short stacking energy: -285.424
Base-Backbone interact. energy: -0.547
local terms energy: -309.959372
where:
bonds (distance) C4'-P energy: -59.014
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -69.586
flat angles P-C4'-P energy: -41.239
tors. eta vs tors. theta energy: -77.544
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: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -926.273639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.273639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.273639 (E_RNA)
where:
Base-Base interactions energy: -638.812
where: short stacking energy: -291.932
Base-Backbone interact. energy: -1.377
local terms energy: -286.083965
where:
bonds (distance) C4'-P energy: -40.393
bonds (distance) P-C4' energy: -59.028
flat angles C4'-P-C4' energy: -68.514
flat angles P-C4'-P energy: -39.325
tors. eta vs tors. theta energy: -78.824
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: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -530.958396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.958396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.958396 (E_RNA)
where:
Base-Base interactions energy: -316.780
where: short stacking energy: -149.594
Base-Backbone interact. energy: -1.186
local terms energy: -212.992776
where:
bonds (distance) C4'-P energy: -54.947
bonds (distance) P-C4' energy: -58.938
flat angles C4'-P-C4' energy: -57.107
flat angles P-C4'-P energy: -27.841
tors. eta vs tors. theta energy: -14.160
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: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1489.646644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.646644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.646644 (E_RNA)
where:
Base-Base interactions energy: -1062.996
where: short stacking energy: -436.409
Base-Backbone interact. energy: 0.253
local terms energy: -426.902952
where:
bonds (distance) C4'-P energy: -75.681
bonds (distance) P-C4' energy: -73.680
flat angles C4'-P-C4' energy: -91.716
flat angles P-C4'-P energy: -64.657
tors. eta vs tors. theta energy: -121.168
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: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1373.004820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.004820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.004820 (E_RNA)
where:
Base-Base interactions energy: -977.208
where: short stacking energy: -415.361
Base-Backbone interact. energy: -3.139
local terms energy: -392.658173
where:
bonds (distance) C4'-P energy: -63.135
bonds (distance) P-C4' energy: -70.074
flat angles C4'-P-C4' energy: -90.731
flat angles P-C4'-P energy: -49.588
tors. eta vs tors. theta energy: -119.130
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: 252
Temperature: 1.000000
Total energy: -1323.058671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.058671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.058671 (E_RNA)
where:
Base-Base interactions energy: -953.016
where: short stacking energy: -379.424
Base-Backbone interact. energy: -2.008
local terms energy: -368.034245
where:
bonds (distance) C4'-P energy: -72.502
bonds (distance) P-C4' energy: -59.256
flat angles C4'-P-C4' energy: -87.073
flat angles P-C4'-P energy: -51.888
tors. eta vs tors. theta energy: -97.314
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: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1295.649133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.649133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.649133 (E_RNA)
where:
Base-Base interactions energy: -914.321
where: short stacking energy: -370.970
Base-Backbone interact. energy: -1.522
local terms energy: -379.806536
where:
bonds (distance) C4'-P energy: -66.136
bonds (distance) P-C4' energy: -73.049
flat angles C4'-P-C4' energy: -78.631
flat angles P-C4'-P energy: -53.065
tors. eta vs tors. theta energy: -108.926
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: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1209.099447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.099447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.099447 (E_RNA)
where:
Base-Base interactions energy: -857.673
where: short stacking energy: -344.920
Base-Backbone interact. energy: 0.187
local terms energy: -351.613644
where:
bonds (distance) C4'-P energy: -74.476
bonds (distance) P-C4' energy: -66.020
flat angles C4'-P-C4' energy: -72.955
flat angles P-C4'-P energy: -48.243
tors. eta vs tors. theta energy: -89.920
Dist. restrs. and SS energy: 0.000 (S_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: 252
Temperature: 1.150000
Total energy: -1105.499596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.499596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.499596 (E_RNA)
where:
Base-Base interactions energy: -765.510
where: short stacking energy: -316.371
Base-Backbone interact. energy: -0.372
local terms energy: -339.618356
where:
bonds (distance) C4'-P energy: -64.890
bonds (distance) P-C4' energy: -68.521
flat angles C4'-P-C4' energy: -72.623
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -91.278
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: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1119.008610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.008610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.008610 (E_RNA)
where:
Base-Base interactions energy: -787.018
where: short stacking energy: -360.724
Base-Backbone interact. energy: 0.378
local terms energy: -332.368986
where:
bonds (distance) C4'-P energy: -60.590
bonds (distance) P-C4' energy: -59.409
flat angles C4'-P-C4' energy: -69.174
flat angles P-C4'-P energy: -47.346
tors. eta vs tors. theta energy: -95.851
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: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1000.912662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.912662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.912662 (E_RNA)
where:
Base-Base interactions energy: -692.428
where: short stacking energy: -288.855
Base-Backbone interact. energy: -1.566
local terms energy: -306.919473
where:
bonds (distance) C4'-P energy: -48.692
bonds (distance) P-C4' energy: -65.504
flat angles C4'-P-C4' energy: -72.065
flat angles P-C4'-P energy: -52.789
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: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -919.942628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.942628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.942628 (E_RNA)
where:
Base-Base interactions energy: -623.235
where: short stacking energy: -282.573
Base-Backbone interact. energy: -1.065
local terms energy: -295.642907
where:
bonds (distance) C4'-P energy: -57.837
bonds (distance) P-C4' energy: -68.561
flat angles C4'-P-C4' energy: -61.064
flat angles P-C4'-P energy: -47.328
tors. eta vs tors. theta energy: -60.853
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: 252
Temperature: 1.350000
Total energy: -535.533493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.533493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.533493 (E_RNA)
where:
Base-Base interactions energy: -317.337
where: short stacking energy: -153.143
Base-Backbone interact. energy: -2.011
local terms energy: -216.185412
where:
bonds (distance) C4'-P energy: -56.715
bonds (distance) P-C4' energy: -58.007
flat angles C4'-P-C4' energy: -57.821
flat angles P-C4'-P energy: -35.039
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1477.874306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.874306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.874306 (E_RNA)
where:
Base-Base interactions energy: -1058.334
where: short stacking energy: -449.154
Base-Backbone interact. energy: -0.074
local terms energy: -419.466181
where:
bonds (distance) C4'-P energy: -80.181
bonds (distance) P-C4' energy: -69.683
flat angles C4'-P-C4' energy: -86.202
flat angles P-C4'-P energy: -59.257
tors. eta vs tors. theta energy: -124.143
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: 253
Temperature: 0.950000
Total energy: -1357.254621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.254621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.254621 (E_RNA)
where:
Base-Base interactions energy: -964.276
where: short stacking energy: -399.897
Base-Backbone interact. energy: -1.085
local terms energy: -391.893688
where:
bonds (distance) C4'-P energy: -65.801
bonds (distance) P-C4' energy: -72.658
flat angles C4'-P-C4' energy: -89.839
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -112.561
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: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1311.917887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.917887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.917887 (E_RNA)
where:
Base-Base interactions energy: -950.677
where: short stacking energy: -376.599
Base-Backbone interact. energy: -1.250
local terms energy: -359.990742
where:
bonds (distance) C4'-P energy: -71.763
bonds (distance) P-C4' energy: -58.725
flat angles C4'-P-C4' energy: -77.332
flat angles P-C4'-P energy: -53.207
tors. eta vs tors. theta energy: -98.964
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: 4, replica: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1282.627108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.627108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.627108 (E_RNA)
where:
Base-Base interactions energy: -928.460
where: short stacking energy: -396.402
Base-Backbone interact. energy: -1.952
local terms energy: -352.214629
where:
bonds (distance) C4'-P energy: -59.484
bonds (distance) P-C4' energy: -58.449
flat angles C4'-P-C4' energy: -82.281
flat angles P-C4'-P energy: -41.386
tors. eta vs tors. theta energy: -110.614
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: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1210.950638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.950638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.950638 (E_RNA)
where:
Base-Base interactions energy: -856.975
where: short stacking energy: -354.691
Base-Backbone interact. energy: -2.165
local terms energy: -351.811049
where:
bonds (distance) C4'-P energy: -62.643
bonds (distance) P-C4' energy: -73.306
flat angles C4'-P-C4' energy: -71.594
flat angles P-C4'-P energy: -47.237
tors. eta vs tors. theta energy: -97.030
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: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1137.297438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.297438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.297438 (E_RNA)
where:
Base-Base interactions energy: -807.775
where: short stacking energy: -354.891
Base-Backbone interact. energy: 0.694
local terms energy: -330.216166
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -55.458
flat angles C4'-P-C4' energy: -68.370
flat angles P-C4'-P energy: -45.534
tors. eta vs tors. theta energy: -98.011
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: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1096.690938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.690938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.690938 (E_RNA)
where:
Base-Base interactions energy: -768.971
where: short stacking energy: -332.143
Base-Backbone interact. energy: -0.734
local terms energy: -326.986450
where:
bonds (distance) C4'-P energy: -61.543
bonds (distance) P-C4' energy: -59.860
flat angles C4'-P-C4' energy: -70.711
flat angles P-C4'-P energy: -46.817
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: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -991.370763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.370763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.370763 (E_RNA)
where:
Base-Base interactions energy: -697.617
where: short stacking energy: -286.082
Base-Backbone interact. energy: -1.335
local terms energy: -292.418959
where:
bonds (distance) C4'-P energy: -52.967
bonds (distance) P-C4' energy: -61.965
flat angles C4'-P-C4' energy: -70.327
flat angles P-C4'-P energy: -40.673
tors. eta vs tors. theta energy: -66.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -859.569287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.569287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.569287 (E_RNA)
where:
Base-Base interactions energy: -589.422
where: short stacking energy: -240.673
Base-Backbone interact. energy: 0.979
local terms energy: -271.125780
where:
bonds (distance) C4'-P energy: -59.830
bonds (distance) P-C4' energy: -57.795
flat angles C4'-P-C4' energy: -68.021
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -43.226
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: 253
Temperature: 1.350000
Total energy: -532.947399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.947399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.947399 (E_RNA)
where:
Base-Base interactions energy: -313.099
where: short stacking energy: -146.792
Base-Backbone interact. energy: -2.726
local terms energy: -217.122288
where:
bonds (distance) C4'-P energy: -50.836
bonds (distance) P-C4' energy: -58.912
flat angles C4'-P-C4' energy: -59.955
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -12.385
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: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1469.743016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.743016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.743016 (E_RNA)
where:
Base-Base interactions energy: -1036.340
where: short stacking energy: -440.377
Base-Backbone interact. energy: 1.487
local terms energy: -434.890379
where:
bonds (distance) C4'-P energy: -73.509
bonds (distance) P-C4' energy: -82.351
flat angles C4'-P-C4' energy: -89.642
flat angles P-C4'-P energy: -63.877
tors. eta vs tors. theta energy: -125.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1349.005458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.005458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.005458 (E_RNA)
where:
Base-Base interactions energy: -950.160
where: short stacking energy: -407.672
Base-Backbone interact. energy: -1.852
local terms energy: -396.992683
where:
bonds (distance) C4'-P energy: -67.346
bonds (distance) P-C4' energy: -73.644
flat angles C4'-P-C4' energy: -85.596
flat angles P-C4'-P energy: -53.879
tors. eta vs tors. theta energy: -116.528
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: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1309.369813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.369813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.369813 (E_RNA)
where:
Base-Base interactions energy: -903.446
where: short stacking energy: -399.808
Base-Backbone interact. energy: -0.854
local terms energy: -405.069387
where:
bonds (distance) C4'-P energy: -71.809
bonds (distance) P-C4' energy: -80.499
flat angles C4'-P-C4' energy: -81.483
flat angles P-C4'-P energy: -55.767
tors. eta vs tors. theta energy: -115.512
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: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1288.795346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.795346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.795346 (E_RNA)
where:
Base-Base interactions energy: -919.338
where: short stacking energy: -371.743
Base-Backbone interact. energy: -0.191
local terms energy: -369.266336
where:
bonds (distance) C4'-P energy: -66.164
bonds (distance) P-C4' energy: -64.178
flat angles C4'-P-C4' energy: -82.462
flat angles P-C4'-P energy: -57.655
tors. eta vs tors. theta energy: -98.807
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: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1168.206511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.206511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.206511 (E_RNA)
where:
Base-Base interactions energy: -798.361
where: short stacking energy: -348.707
Base-Backbone interact. energy: 0.026
local terms energy: -369.872044
where:
bonds (distance) C4'-P energy: -71.144
bonds (distance) P-C4' energy: -72.995
flat angles C4'-P-C4' energy: -74.211
flat angles P-C4'-P energy: -58.965
tors. eta vs tors. theta energy: -92.558
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: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1197.446069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.446069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.446069 (E_RNA)
where:
Base-Base interactions energy: -839.060
where: short stacking energy: -345.193
Base-Backbone interact. energy: -3.015
local terms energy: -355.370967
where:
bonds (distance) C4'-P energy: -56.668
bonds (distance) P-C4' energy: -70.127
flat angles C4'-P-C4' energy: -71.566
flat angles P-C4'-P energy: -59.830
tors. eta vs tors. theta energy: -97.180
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: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1053.476115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.476115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.476115 (E_RNA)
where:
Base-Base interactions energy: -723.673
where: short stacking energy: -310.614
Base-Backbone interact. energy: -0.920
local terms energy: -328.882529
where:
bonds (distance) C4'-P energy: -56.405
bonds (distance) P-C4' energy: -67.836
flat angles C4'-P-C4' energy: -65.258
flat angles P-C4'-P energy: -49.597
tors. eta vs tors. theta energy: -89.786
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: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1041.953655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.953655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.953655 (E_RNA)
where:
Base-Base interactions energy: -735.205
where: short stacking energy: -303.138
Base-Backbone interact. energy: -1.556
local terms energy: -305.192159
where:
bonds (distance) C4'-P energy: -57.810
bonds (distance) P-C4' energy: -62.551
flat angles C4'-P-C4' energy: -71.585
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -77.023
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: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -913.329371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.329371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.329371 (E_RNA)
where:
Base-Base interactions energy: -610.905
where: short stacking energy: -277.586
Base-Backbone interact. energy: -1.534
local terms energy: -300.890024
where:
bonds (distance) C4'-P energy: -58.596
bonds (distance) P-C4' energy: -64.003
flat angles C4'-P-C4' energy: -77.068
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -71.984
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: 254
Temperature: 1.350000
Total energy: -527.444719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.444719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.444719 (E_RNA)
where:
Base-Base interactions energy: -316.255
where: short stacking energy: -155.766
Base-Backbone interact. energy: -1.015
local terms energy: -210.174662
where:
bonds (distance) C4'-P energy: -56.339
bonds (distance) P-C4' energy: -59.690
flat angles C4'-P-C4' energy: -46.453
flat angles P-C4'-P energy: -36.350
tors. eta vs tors. theta energy: -11.343
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: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1464.284659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.284659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.284659 (E_RNA)
where:
Base-Base interactions energy: -1048.772
where: short stacking energy: -447.715
Base-Backbone interact. energy: -1.613
local terms energy: -413.899807
where:
bonds (distance) C4'-P energy: -68.284
bonds (distance) P-C4' energy: -77.648
flat angles C4'-P-C4' energy: -88.564
flat angles P-C4'-P energy: -60.026
tors. eta vs tors. theta energy: -119.377
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: 255
Temperature: 0.950000
Total energy: -1365.752672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.752672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.752672 (E_RNA)
where:
Base-Base interactions energy: -961.007
where: short stacking energy: -404.496
Base-Backbone interact. energy: -0.982
local terms energy: -403.763591
where:
bonds (distance) C4'-P energy: -68.773
bonds (distance) P-C4' energy: -80.306
flat angles C4'-P-C4' energy: -81.643
flat angles P-C4'-P energy: -63.841
tors. eta vs tors. theta energy: -109.200
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: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1318.900965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.900965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.900965 (E_RNA)
where:
Base-Base interactions energy: -928.295
where: short stacking energy: -400.326
Base-Backbone interact. energy: -1.156
local terms energy: -389.450011
where:
bonds (distance) C4'-P energy: -67.622
bonds (distance) P-C4' energy: -82.213
flat angles C4'-P-C4' energy: -77.077
flat angles P-C4'-P energy: -53.988
tors. eta vs tors. theta energy: -108.551
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: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1290.441862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.441862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.441862 (E_RNA)
where:
Base-Base interactions energy: -922.621
where: short stacking energy: -369.605
Base-Backbone interact. energy: 1.822
local terms energy: -369.643436
where:
bonds (distance) C4'-P energy: -70.650
bonds (distance) P-C4' energy: -77.861
flat angles C4'-P-C4' energy: -78.956
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -97.205
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: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1148.481881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.481881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.481881 (E_RNA)
where:
Base-Base interactions energy: -782.023
where: short stacking energy: -351.787
Base-Backbone interact. energy: 0.703
local terms energy: -367.162417
where:
bonds (distance) C4'-P energy: -73.377
bonds (distance) P-C4' energy: -71.659
flat angles C4'-P-C4' energy: -85.689
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -93.993
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: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1161.315835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.315835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.315835 (E_RNA)
where:
Base-Base interactions energy: -842.421
where: short stacking energy: -331.256
Base-Backbone interact. energy: -1.970
local terms energy: -316.924365
where:
bonds (distance) C4'-P energy: -57.667
bonds (distance) P-C4' energy: -54.308
flat angles C4'-P-C4' energy: -68.354
flat angles P-C4'-P energy: -46.441
tors. eta vs tors. theta energy: -90.155
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: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1040.162353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.162353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.162353 (E_RNA)
where:
Base-Base interactions energy: -710.493
where: short stacking energy: -317.843
Base-Backbone interact. energy: -2.141
local terms energy: -327.528615
where:
bonds (distance) C4'-P energy: -65.773
bonds (distance) P-C4' energy: -67.224
flat angles C4'-P-C4' energy: -71.344
flat angles P-C4'-P energy: -42.914
tors. eta vs tors. theta energy: -80.274
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: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1052.551400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.551400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.551400 (E_RNA)
where:
Base-Base interactions energy: -740.862
where: short stacking energy: -330.750
Base-Backbone interact. energy: 0.371
local terms energy: -312.060013
where:
bonds (distance) C4'-P energy: -48.443
bonds (distance) P-C4' energy: -69.191
flat angles C4'-P-C4' energy: -66.861
flat angles P-C4'-P energy: -41.148
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: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -873.286650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.286650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.286650 (E_RNA)
where:
Base-Base interactions energy: -587.847
where: short stacking energy: -255.341
Base-Backbone interact. energy: 1.271
local terms energy: -286.710967
where:
bonds (distance) C4'-P energy: -47.618
bonds (distance) P-C4' energy: -67.420
flat angles C4'-P-C4' energy: -77.549
flat angles P-C4'-P energy: -36.858
tors. eta vs tors. theta energy: -57.267
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: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -516.213266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.213266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.213266 (E_RNA)
where:
Base-Base interactions energy: -303.749
where: short stacking energy: -152.666
Base-Backbone interact. energy: 4.507
local terms energy: -216.970906
where:
bonds (distance) C4'-P energy: -54.672
bonds (distance) P-C4' energy: -67.097
flat angles C4'-P-C4' energy: -54.648
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -17.740
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: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1460.330654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.330654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.330654 (E_RNA)
where:
Base-Base interactions energy: -1056.524
where: short stacking energy: -434.339
Base-Backbone interact. energy: -0.499
local terms energy: -403.307169
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -65.052
flat angles C4'-P-C4' energy: -89.304
flat angles P-C4'-P energy: -61.776
tors. eta vs tors. theta energy: -122.862
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: 256
Temperature: 0.950000
Total energy: -1356.802936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.802936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.802936 (E_RNA)
where:
Base-Base interactions energy: -958.427
where: short stacking energy: -391.980
Base-Backbone interact. energy: -2.460
local terms energy: -395.916625
where:
bonds (distance) C4'-P energy: -64.722
bonds (distance) P-C4' energy: -71.769
flat angles C4'-P-C4' energy: -80.652
flat angles P-C4'-P energy: -63.602
tors. eta vs tors. theta energy: -115.171
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: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1326.147319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.147319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.147319 (E_RNA)
where:
Base-Base interactions energy: -932.069
where: short stacking energy: -387.497
Base-Backbone interact. energy: 0.051
local terms energy: -394.129059
where:
bonds (distance) C4'-P energy: -70.145
bonds (distance) P-C4' energy: -72.319
flat angles C4'-P-C4' energy: -82.421
flat angles P-C4'-P energy: -57.819
tors. eta vs tors. theta energy: -111.425
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: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1299.406596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.406596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.406596 (E_RNA)
where:
Base-Base interactions energy: -928.604
where: short stacking energy: -350.505
Base-Backbone interact. energy: -1.894
local terms energy: -368.908995
where:
bonds (distance) C4'-P energy: -65.924
bonds (distance) P-C4' energy: -75.943
flat angles C4'-P-C4' energy: -78.009
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: -97.321
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: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1222.345631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.345631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.345631 (E_RNA)
where:
Base-Base interactions energy: -876.441
where: short stacking energy: -346.940
Base-Backbone interact. energy: 1.413
local terms energy: -347.318138
where:
bonds (distance) C4'-P energy: -60.010
bonds (distance) P-C4' energy: -69.179
flat angles C4'-P-C4' energy: -78.184
flat angles P-C4'-P energy: -48.150
tors. eta vs tors. theta energy: -91.796
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: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1127.353028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.353028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.353028 (E_RNA)
where:
Base-Base interactions energy: -787.850
where: short stacking energy: -342.601
Base-Backbone interact. energy: -0.423
local terms energy: -339.079509
where:
bonds (distance) C4'-P energy: -67.215
bonds (distance) P-C4' energy: -67.772
flat angles C4'-P-C4' energy: -65.483
flat angles P-C4'-P energy: -44.244
tors. eta vs tors. theta energy: -94.364
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: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1068.845494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.845494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.845494 (E_RNA)
where:
Base-Base interactions energy: -753.985
where: short stacking energy: -327.783
Base-Backbone interact. energy: 0.973
local terms energy: -315.833545
where:
bonds (distance) C4'-P energy: -63.700
bonds (distance) P-C4' energy: -63.534
flat angles C4'-P-C4' energy: -66.460
flat angles P-C4'-P energy: -40.467
tors. eta vs tors. theta energy: -81.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1028.159149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.159149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.159149 (E_RNA)
where:
Base-Base interactions energy: -704.692
where: short stacking energy: -303.304
Base-Backbone interact. energy: 3.060
local terms energy: -326.527111
where:
bonds (distance) C4'-P energy: -64.029
bonds (distance) P-C4' energy: -71.015
flat angles C4'-P-C4' energy: -73.014
flat angles P-C4'-P energy: -39.716
tors. eta vs tors. theta energy: -78.755
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: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -912.787922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.787922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.787922 (E_RNA)
where:
Base-Base interactions energy: -622.837
where: short stacking energy: -262.967
Base-Backbone interact. energy: -0.791
local terms energy: -289.160548
where:
bonds (distance) C4'-P energy: -54.629
bonds (distance) P-C4' energy: -59.228
flat angles C4'-P-C4' energy: -79.564
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -61.650
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: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -472.292190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.292190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.292190 (E_RNA)
where:
Base-Base interactions energy: -272.767
where: short stacking energy: -133.517
Base-Backbone interact. energy: -1.652
local terms energy: -197.873358
where:
bonds (distance) C4'-P energy: -50.297
bonds (distance) P-C4' energy: -55.320
flat angles C4'-P-C4' energy: -42.721
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1493.865831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.865831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.865831 (E_RNA)
where:
Base-Base interactions energy: -1070.323
where: short stacking energy: -445.959
Base-Backbone interact. energy: -1.880
local terms energy: -421.662809
where:
bonds (distance) C4'-P energy: -73.876
bonds (distance) P-C4' energy: -77.784
flat angles C4'-P-C4' energy: -87.652
flat angles P-C4'-P energy: -54.953
tors. eta vs tors. theta energy: -127.398
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: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1358.549940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.549940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.549940 (E_RNA)
where:
Base-Base interactions energy: -962.354
where: short stacking energy: -409.940
Base-Backbone interact. energy: 1.838
local terms energy: -398.033419
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -75.568
flat angles C4'-P-C4' energy: -82.725
flat angles P-C4'-P energy: -55.489
tors. eta vs tors. theta energy: -120.669
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: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1329.075116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.075116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.075116 (E_RNA)
where:
Base-Base interactions energy: -944.007
where: short stacking energy: -396.655
Base-Backbone interact. energy: -1.080
local terms energy: -383.988228
where:
bonds (distance) C4'-P energy: -74.372
bonds (distance) P-C4' energy: -66.487
flat angles C4'-P-C4' energy: -70.405
flat angles P-C4'-P energy: -56.760
tors. eta vs tors. theta energy: -115.965
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: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1309.821301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.821301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.821301 (E_RNA)
where:
Base-Base interactions energy: -947.961
where: short stacking energy: -376.197
Base-Backbone interact. energy: -1.620
local terms energy: -360.240347
where:
bonds (distance) C4'-P energy: -72.601
bonds (distance) P-C4' energy: -66.590
flat angles C4'-P-C4' energy: -79.426
flat angles P-C4'-P energy: -46.985
tors. eta vs tors. theta energy: -94.638
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: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1187.549669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.549669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.549669 (E_RNA)
where:
Base-Base interactions energy: -841.692
where: short stacking energy: -340.797
Base-Backbone interact. energy: -1.113
local terms energy: -344.744211
where:
bonds (distance) C4'-P energy: -65.460
bonds (distance) P-C4' energy: -72.140
flat angles C4'-P-C4' energy: -65.341
flat angles P-C4'-P energy: -48.199
tors. eta vs tors. theta energy: -93.604
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: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1129.316969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.316969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.316969 (E_RNA)
where:
Base-Base interactions energy: -758.417
where: short stacking energy: -337.697
Base-Backbone interact. energy: -0.296
local terms energy: -370.604186
where:
bonds (distance) C4'-P energy: -66.637
bonds (distance) P-C4' energy: -68.891
flat angles C4'-P-C4' energy: -86.292
flat angles P-C4'-P energy: -48.861
tors. eta vs tors. theta energy: -99.923
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: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1069.854697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.854697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.854697 (E_RNA)
where:
Base-Base interactions energy: -746.204
where: short stacking energy: -327.956
Base-Backbone interact. energy: -0.382
local terms energy: -323.268481
where:
bonds (distance) C4'-P energy: -66.832
bonds (distance) P-C4' energy: -58.927
flat angles C4'-P-C4' energy: -70.323
flat angles P-C4'-P energy: -47.585
tors. eta vs tors. theta energy: -79.602
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: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1012.128836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.128836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.128836 (E_RNA)
where:
Base-Base interactions energy: -715.076
where: short stacking energy: -295.148
Base-Backbone interact. energy: -0.952
local terms energy: -296.101611
where:
bonds (distance) C4'-P energy: -56.118
bonds (distance) P-C4' energy: -60.418
flat angles C4'-P-C4' energy: -71.551
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -77.212
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: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -891.793686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.793686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.793686 (E_RNA)
where:
Base-Base interactions energy: -607.481
where: short stacking energy: -256.529
Base-Backbone interact. energy: -0.901
local terms energy: -283.411017
where:
bonds (distance) C4'-P energy: -64.643
bonds (distance) P-C4' energy: -64.057
flat angles C4'-P-C4' energy: -60.273
flat angles P-C4'-P energy: -35.605
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: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -483.072603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.072603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.072603 (E_RNA)
where:
Base-Base interactions energy: -250.505
where: short stacking energy: -124.515
Base-Backbone interact. energy: -0.651
local terms energy: -231.916138
where:
bonds (distance) C4'-P energy: -65.866
bonds (distance) P-C4' energy: -68.368
flat angles C4'-P-C4' energy: -55.902
flat angles P-C4'-P energy: -42.089
tors. eta vs tors. theta energy: 0.307
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: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1475.219732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.219732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.219732 (E_RNA)
where:
Base-Base interactions energy: -1045.305
where: short stacking energy: -437.319
Base-Backbone interact. energy: -2.167
local terms energy: -427.747979
where:
bonds (distance) C4'-P energy: -76.650
bonds (distance) P-C4' energy: -78.216
flat angles C4'-P-C4' energy: -90.505
flat angles P-C4'-P energy: -60.863
tors. eta vs tors. theta energy: -121.514
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: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1333.929796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.929796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.929796 (E_RNA)
where:
Base-Base interactions energy: -941.952
where: short stacking energy: -393.683
Base-Backbone interact. energy: -2.249
local terms energy: -389.729024
where:
bonds (distance) C4'-P energy: -64.610
bonds (distance) P-C4' energy: -71.688
flat angles C4'-P-C4' energy: -81.289
flat angles P-C4'-P energy: -61.219
tors. eta vs tors. theta energy: -110.923
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: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1311.733146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.733146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.733146 (E_RNA)
where:
Base-Base interactions energy: -910.347
where: short stacking energy: -397.665
Base-Backbone interact. energy: -0.658
local terms energy: -400.728712
where:
bonds (distance) C4'-P energy: -78.981
bonds (distance) P-C4' energy: -60.410
flat angles C4'-P-C4' energy: -85.261
flat angles P-C4'-P energy: -57.376
tors. eta vs tors. theta energy: -118.700
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: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1327.896831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.896831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.896831 (E_RNA)
where:
Base-Base interactions energy: -961.396
where: short stacking energy: -382.925
Base-Backbone interact. energy: 0.967
local terms energy: -367.467758
where:
bonds (distance) C4'-P energy: -69.215
bonds (distance) P-C4' energy: -75.290
flat angles C4'-P-C4' energy: -80.290
flat angles P-C4'-P energy: -42.882
tors. eta vs tors. theta energy: -99.791
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: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1224.898516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.898516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.898516 (E_RNA)
where:
Base-Base interactions energy: -865.250
where: short stacking energy: -340.978
Base-Backbone interact. energy: 0.978
local terms energy: -360.626207
where:
bonds (distance) C4'-P energy: -65.865
bonds (distance) P-C4' energy: -68.494
flat angles C4'-P-C4' energy: -76.445
flat angles P-C4'-P energy: -56.299
tors. eta vs tors. theta energy: -93.524
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: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1146.901642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.901642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.901642 (E_RNA)
where:
Base-Base interactions energy: -782.552
where: short stacking energy: -342.846
Base-Backbone interact. energy: -1.645
local terms energy: -362.704345
where:
bonds (distance) C4'-P energy: -64.583
bonds (distance) P-C4' energy: -72.772
flat angles C4'-P-C4' energy: -74.665
flat angles P-C4'-P energy: -49.658
tors. eta vs tors. theta energy: -101.026
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: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1027.779209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.779209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.779209 (E_RNA)
where:
Base-Base interactions energy: -717.181
where: short stacking energy: -305.462
Base-Backbone interact. energy: -0.804
local terms energy: -309.794121
where:
bonds (distance) C4'-P energy: -58.781
bonds (distance) P-C4' energy: -62.562
flat angles C4'-P-C4' energy: -69.661
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -79.514
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: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1014.006977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.006977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.006977 (E_RNA)
where:
Base-Base interactions energy: -714.875
where: short stacking energy: -321.604
Base-Backbone interact. energy: -1.097
local terms energy: -298.035022
where:
bonds (distance) C4'-P energy: -51.970
bonds (distance) P-C4' energy: -57.297
flat angles C4'-P-C4' energy: -65.885
flat angles P-C4'-P energy: -45.985
tors. eta vs tors. theta energy: -76.899
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: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -906.359832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.359832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.359832 (E_RNA)
where:
Base-Base interactions energy: -630.205
where: short stacking energy: -273.124
Base-Backbone interact. energy: -1.514
local terms energy: -274.640816
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -65.629
flat angles C4'-P-C4' energy: -62.128
flat angles P-C4'-P energy: -32.362
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: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -462.097906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.097906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.097906 (E_RNA)
where:
Base-Base interactions energy: -258.440
where: short stacking energy: -145.155
Base-Backbone interact. energy: 3.717
local terms energy: -207.374865
where:
bonds (distance) C4'-P energy: -56.956
bonds (distance) P-C4' energy: -61.220
flat angles C4'-P-C4' energy: -50.389
flat angles P-C4'-P energy: -28.548
tors. eta vs tors. theta energy: -10.263
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: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1482.327788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.327788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.327788 (E_RNA)
where:
Base-Base interactions energy: -1058.792
where: short stacking energy: -437.336
Base-Backbone interact. energy: -1.125
local terms energy: -422.410711
where:
bonds (distance) C4'-P energy: -72.789
bonds (distance) P-C4' energy: -81.477
flat angles C4'-P-C4' energy: -84.296
flat angles P-C4'-P energy: -55.276
tors. eta vs tors. theta energy: -128.572
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: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1331.983493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.983493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.983493 (E_RNA)
where:
Base-Base interactions energy: -936.123
where: short stacking energy: -389.853
Base-Backbone interact. energy: -0.182
local terms energy: -395.678039
where:
bonds (distance) C4'-P energy: -59.256
bonds (distance) P-C4' energy: -76.080
flat angles C4'-P-C4' energy: -86.546
flat angles P-C4'-P energy: -60.630
tors. eta vs tors. theta energy: -113.166
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: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1316.008508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.008508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.008508 (E_RNA)
where:
Base-Base interactions energy: -928.383
where: short stacking energy: -386.331
Base-Backbone interact. energy: 0.997
local terms energy: -388.622088
where:
bonds (distance) C4'-P energy: -68.937
bonds (distance) P-C4' energy: -63.539
flat angles C4'-P-C4' energy: -85.927
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -119.253
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: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1302.916635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.916635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.916635 (E_RNA)
where:
Base-Base interactions energy: -951.755
where: short stacking energy: -375.874
Base-Backbone interact. energy: -2.182
local terms energy: -348.980039
where:
bonds (distance) C4'-P energy: -63.160
bonds (distance) P-C4' energy: -68.979
flat angles C4'-P-C4' energy: -80.161
flat angles P-C4'-P energy: -40.278
tors. eta vs tors. theta energy: -96.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1213.978763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.978763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.978763 (E_RNA)
where:
Base-Base interactions energy: -851.709
where: short stacking energy: -364.396
Base-Backbone interact. energy: -2.416
local terms energy: -359.853447
where:
bonds (distance) C4'-P energy: -73.330
bonds (distance) P-C4' energy: -64.560
flat angles C4'-P-C4' energy: -69.470
flat angles P-C4'-P energy: -56.859
tors. eta vs tors. theta energy: -95.634
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: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1107.284650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.284650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.284650 (E_RNA)
where:
Base-Base interactions energy: -762.387
where: short stacking energy: -352.360
Base-Backbone interact. energy: -1.654
local terms energy: -343.243589
where:
bonds (distance) C4'-P energy: -66.764
bonds (distance) P-C4' energy: -64.550
flat angles C4'-P-C4' energy: -74.702
flat angles P-C4'-P energy: -38.282
tors. eta vs tors. theta energy: -98.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1073.519375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.519375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.519375 (E_RNA)
where:
Base-Base interactions energy: -736.289
where: short stacking energy: -321.317
Base-Backbone interact. energy: -1.084
local terms energy: -336.147041
where:
bonds (distance) C4'-P energy: -65.345
bonds (distance) P-C4' energy: -65.230
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -46.379
tors. eta vs tors. theta energy: -87.677
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: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1014.495892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.495892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.495892 (E_RNA)
where:
Base-Base interactions energy: -716.158
where: short stacking energy: -306.331
Base-Backbone interact. energy: 3.320
local terms energy: -301.658176
where:
bonds (distance) C4'-P energy: -56.692
bonds (distance) P-C4' energy: -45.660
flat angles C4'-P-C4' energy: -66.722
flat angles P-C4'-P energy: -55.130
tors. eta vs tors. theta energy: -77.454
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: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -909.746866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.746866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.746866 (E_RNA)
where:
Base-Base interactions energy: -626.295
where: short stacking energy: -275.015
Base-Backbone interact. energy: 1.138
local terms energy: -284.590577
where:
bonds (distance) C4'-P energy: -53.759
bonds (distance) P-C4' energy: -65.315
flat angles C4'-P-C4' energy: -58.038
flat angles P-C4'-P energy: -36.587
tors. eta vs tors. theta energy: -70.892
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: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -478.725093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.725093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.725093 (E_RNA)
where:
Base-Base interactions energy: -249.096
where: short stacking energy: -122.836
Base-Backbone interact. energy: 5.224
local terms energy: -234.852936
where:
bonds (distance) C4'-P energy: -60.541
bonds (distance) P-C4' energy: -65.473
flat angles C4'-P-C4' energy: -51.205
flat angles P-C4'-P energy: -46.674
tors. eta vs tors. theta energy: -10.959
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: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1487.508517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.508517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.508517 (E_RNA)
where:
Base-Base interactions energy: -1064.294
where: short stacking energy: -438.930
Base-Backbone interact. energy: -0.304
local terms energy: -422.911093
where:
bonds (distance) C4'-P energy: -78.222
bonds (distance) P-C4' energy: -74.990
flat angles C4'-P-C4' energy: -92.445
flat angles P-C4'-P energy: -56.550
tors. eta vs tors. theta energy: -120.704
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: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1354.882329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.882329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.882329 (E_RNA)
where:
Base-Base interactions energy: -948.107
where: short stacking energy: -409.942
Base-Backbone interact. energy: -1.297
local terms energy: -405.478901
where:
bonds (distance) C4'-P energy: -76.074
bonds (distance) P-C4' energy: -66.006
flat angles C4'-P-C4' energy: -85.135
flat angles P-C4'-P energy: -64.761
tors. eta vs tors. theta energy: -113.503
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: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1324.823666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.823666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.823666 (E_RNA)
where:
Base-Base interactions energy: -947.962
where: short stacking energy: -372.767
Base-Backbone interact. energy: -0.002
local terms energy: -376.859685
where:
bonds (distance) C4'-P energy: -75.617
bonds (distance) P-C4' energy: -72.554
flat angles C4'-P-C4' energy: -83.379
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -100.373
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: 260
Temperature: 1.050000
Total energy: -1293.266996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.266996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.266996 (E_RNA)
where:
Base-Base interactions energy: -927.629
where: short stacking energy: -390.879
Base-Backbone interact. energy: -1.171
local terms energy: -364.466218
where:
bonds (distance) C4'-P energy: -62.784
bonds (distance) P-C4' energy: -64.589
flat angles C4'-P-C4' energy: -87.557
flat angles P-C4'-P energy: -47.193
tors. eta vs tors. theta energy: -102.343
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: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1210.761810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.761810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.761810 (E_RNA)
where:
Base-Base interactions energy: -852.781
where: short stacking energy: -352.247
Base-Backbone interact. energy: -1.051
local terms energy: -356.929924
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -70.934
flat angles C4'-P-C4' energy: -79.155
flat angles P-C4'-P energy: -59.367
tors. eta vs tors. theta energy: -93.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1143.630694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.630694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.630694 (E_RNA)
where:
Base-Base interactions energy: -786.303
where: short stacking energy: -357.939
Base-Backbone interact. energy: -0.567
local terms energy: -356.761012
where:
bonds (distance) C4'-P energy: -65.312
bonds (distance) P-C4' energy: -68.010
flat angles C4'-P-C4' energy: -79.979
flat angles P-C4'-P energy: -50.346
tors. eta vs tors. theta energy: -93.114
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: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1014.788776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.788776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.788776 (E_RNA)
where:
Base-Base interactions energy: -693.055
where: short stacking energy: -289.357
Base-Backbone interact. energy: -0.476
local terms energy: -321.257486
where:
bonds (distance) C4'-P energy: -56.398
bonds (distance) P-C4' energy: -59.305
flat angles C4'-P-C4' energy: -75.826
flat angles P-C4'-P energy: -51.249
tors. eta vs tors. theta energy: -78.479
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: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -980.501918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.501918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.501918 (E_RNA)
where:
Base-Base interactions energy: -674.665
where: short stacking energy: -269.756
Base-Backbone interact. energy: -0.776
local terms energy: -305.061004
where:
bonds (distance) C4'-P energy: -63.495
bonds (distance) P-C4' energy: -66.135
flat angles C4'-P-C4' energy: -66.842
flat angles P-C4'-P energy: -42.261
tors. eta vs tors. theta energy: -66.328
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: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -921.300430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.300430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.300430 (E_RNA)
where:
Base-Base interactions energy: -654.789
where: short stacking energy: -282.941
Base-Backbone interact. energy: 0.133
local terms energy: -266.644775
where:
bonds (distance) C4'-P energy: -41.969
bonds (distance) P-C4' energy: -57.296
flat angles C4'-P-C4' energy: -66.119
flat angles P-C4'-P energy: -36.808
tors. eta vs tors. theta energy: -64.453
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: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -433.458932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.458932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.458932 (E_RNA)
where:
Base-Base interactions energy: -246.847
where: short stacking energy: -132.584
Base-Backbone interact. energy: 2.392
local terms energy: -189.003541
where:
bonds (distance) C4'-P energy: -54.657
bonds (distance) P-C4' energy: -69.413
flat angles C4'-P-C4' energy: -38.791
flat angles P-C4'-P energy: -24.642
tors. eta vs tors. theta energy: -1.500
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: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1463.173316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.173316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.173316 (E_RNA)
where:
Base-Base interactions energy: -1068.572
where: short stacking energy: -443.802
Base-Backbone interact. energy: -0.630
local terms energy: -393.971661
where:
bonds (distance) C4'-P energy: -77.865
bonds (distance) P-C4' energy: -70.391
flat angles C4'-P-C4' energy: -76.576
flat angles P-C4'-P energy: -46.069
tors. eta vs tors. theta energy: -123.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1349.797783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.797783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.797783 (E_RNA)
where:
Base-Base interactions energy: -938.401
where: short stacking energy: -401.536
Base-Backbone interact. energy: 0.302
local terms energy: -411.698366
where:
bonds (distance) C4'-P energy: -69.019
bonds (distance) P-C4' energy: -81.751
flat angles C4'-P-C4' energy: -84.651
flat angles P-C4'-P energy: -62.966
tors. eta vs tors. theta energy: -113.311
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: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1312.049509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.049509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.049509 (E_RNA)
where:
Base-Base interactions energy: -939.401
where: short stacking energy: -349.537
Base-Backbone interact. energy: -0.950
local terms energy: -371.698342
where:
bonds (distance) C4'-P energy: -65.489
bonds (distance) P-C4' energy: -75.342
flat angles C4'-P-C4' energy: -83.887
flat angles P-C4'-P energy: -52.143
tors. eta vs tors. theta energy: -94.838
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: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1247.147222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.147222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.147222 (E_RNA)
where:
Base-Base interactions energy: -886.812
where: short stacking energy: -364.194
Base-Backbone interact. energy: -0.713
local terms energy: -359.621964
where:
bonds (distance) C4'-P energy: -75.028
bonds (distance) P-C4' energy: -63.158
flat angles C4'-P-C4' energy: -79.526
flat angles P-C4'-P energy: -50.816
tors. eta vs tors. theta energy: -91.095
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: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1251.234197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.234197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.234197 (E_RNA)
where:
Base-Base interactions energy: -866.931
where: short stacking energy: -374.743
Base-Backbone interact. energy: -2.616
local terms energy: -381.686791
where:
bonds (distance) C4'-P energy: -61.804
bonds (distance) P-C4' energy: -70.830
flat angles C4'-P-C4' energy: -84.330
flat angles P-C4'-P energy: -63.222
tors. eta vs tors. theta energy: -101.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1151.727543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.727543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.727543 (E_RNA)
where:
Base-Base interactions energy: -801.341
where: short stacking energy: -347.466
Base-Backbone interact. energy: -1.234
local terms energy: -349.152108
where:
bonds (distance) C4'-P energy: -73.872
bonds (distance) P-C4' energy: -58.264
flat angles C4'-P-C4' energy: -74.177
flat angles P-C4'-P energy: -44.572
tors. eta vs tors. theta energy: -98.267
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: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -991.977771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.977771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.977771 (E_RNA)
where:
Base-Base interactions energy: -668.930
where: short stacking energy: -289.165
Base-Backbone interact. energy: -1.802
local terms energy: -321.246052
where:
bonds (distance) C4'-P energy: -63.117
bonds (distance) P-C4' energy: -67.133
flat angles C4'-P-C4' energy: -73.397
flat angles P-C4'-P energy: -50.262
tors. eta vs tors. theta energy: -67.338
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: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -991.638301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.638301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.638301 (E_RNA)
where:
Base-Base interactions energy: -697.098
where: short stacking energy: -294.608
Base-Backbone interact. energy: -0.712
local terms energy: -293.827904
where:
bonds (distance) C4'-P energy: -50.264
bonds (distance) P-C4' energy: -63.339
flat angles C4'-P-C4' energy: -70.308
flat angles P-C4'-P energy: -37.824
tors. eta vs tors. theta energy: -72.094
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: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -999.253541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.253541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.253541 (E_RNA)
where:
Base-Base interactions energy: -664.436
where: short stacking energy: -292.500
Base-Backbone interact. energy: -0.830
local terms energy: -333.987995
where:
bonds (distance) C4'-P energy: -76.930
bonds (distance) P-C4' energy: -56.555
flat angles C4'-P-C4' energy: -78.336
flat angles P-C4'-P energy: -51.108
tors. eta vs tors. theta energy: -71.059
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: 261
Temperature: 1.350000
Total energy: -471.193923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.193923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.193923 (E_RNA)
where:
Base-Base interactions energy: -254.610
where: short stacking energy: -148.907
Base-Backbone interact. energy: -0.896
local terms energy: -215.688324
where:
bonds (distance) C4'-P energy: -70.426
bonds (distance) P-C4' energy: -58.895
flat angles C4'-P-C4' energy: -56.097
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -8.881
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: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1482.481474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.481474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.481474 (E_RNA)
where:
Base-Base interactions energy: -1055.719
where: short stacking energy: -439.803
Base-Backbone interact. energy: -0.479
local terms energy: -426.283631
where:
bonds (distance) C4'-P energy: -72.748
bonds (distance) P-C4' energy: -79.600
flat angles C4'-P-C4' energy: -92.616
flat angles P-C4'-P energy: -61.424
tors. eta vs tors. theta energy: -119.896
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: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1350.529206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.529206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.529206 (E_RNA)
where:
Base-Base interactions energy: -963.139
where: short stacking energy: -395.939
Base-Backbone interact. energy: 0.247
local terms energy: -387.637182
where:
bonds (distance) C4'-P energy: -65.489
bonds (distance) P-C4' energy: -68.618
flat angles C4'-P-C4' energy: -86.679
flat angles P-C4'-P energy: -54.884
tors. eta vs tors. theta energy: -111.967
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: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1312.584295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.584295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.584295 (E_RNA)
where:
Base-Base interactions energy: -931.865
where: short stacking energy: -394.821
Base-Backbone interact. energy: 0.395
local terms energy: -381.114229
where:
bonds (distance) C4'-P energy: -71.043
bonds (distance) P-C4' energy: -68.233
flat angles C4'-P-C4' energy: -77.507
flat angles P-C4'-P energy: -60.051
tors. eta vs tors. theta energy: -104.279
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: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1250.701236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.701236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.701236 (E_RNA)
where:
Base-Base interactions energy: -885.559
where: short stacking energy: -368.449
Base-Backbone interact. energy: -0.633
local terms energy: -364.508821
where:
bonds (distance) C4'-P energy: -53.665
bonds (distance) P-C4' energy: -72.770
flat angles C4'-P-C4' energy: -86.685
flat angles P-C4'-P energy: -54.814
tors. eta vs tors. theta energy: -96.575
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: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1256.832165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.832165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.832165 (E_RNA)
where:
Base-Base interactions energy: -888.392
where: short stacking energy: -379.168
Base-Backbone interact. energy: -1.549
local terms energy: -366.890446
where:
bonds (distance) C4'-P energy: -61.891
bonds (distance) P-C4' energy: -64.277
flat angles C4'-P-C4' energy: -84.688
flat angles P-C4'-P energy: -43.699
tors. eta vs tors. theta energy: -112.335
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: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1098.263772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.263772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.263772 (E_RNA)
where:
Base-Base interactions energy: -762.922
where: short stacking energy: -330.852
Base-Backbone interact. energy: -1.052
local terms energy: -334.288975
where:
bonds (distance) C4'-P energy: -55.638
bonds (distance) P-C4' energy: -61.880
flat angles C4'-P-C4' energy: -71.045
flat angles P-C4'-P energy: -54.746
tors. eta vs tors. theta energy: -90.979
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: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1036.421104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.421104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.421104 (E_RNA)
where:
Base-Base interactions energy: -734.147
where: short stacking energy: -313.512
Base-Backbone interact. energy: 0.514
local terms energy: -302.788229
where:
bonds (distance) C4'-P energy: -62.066
bonds (distance) P-C4' energy: -66.109
flat angles C4'-P-C4' energy: -56.885
flat angles P-C4'-P energy: -37.634
tors. eta vs tors. theta energy: -80.095
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: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -952.650938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.650938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.650938 (E_RNA)
where:
Base-Base interactions energy: -678.751
where: short stacking energy: -299.730
Base-Backbone interact. energy: -2.491
local terms energy: -271.409204
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -50.142
flat angles C4'-P-C4' energy: -59.576
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -69.758
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: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -920.253314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.253314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.253314 (E_RNA)
where:
Base-Base interactions energy: -638.712
where: short stacking energy: -277.409
Base-Backbone interact. energy: -0.450
local terms energy: -281.091338
where:
bonds (distance) C4'-P energy: -50.776
bonds (distance) P-C4' energy: -68.081
flat angles C4'-P-C4' energy: -68.082
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -69.582
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: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -483.639215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.639215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.639215 (E_RNA)
where:
Base-Base interactions energy: -274.797
where: short stacking energy: -150.865
Base-Backbone interact. energy: -2.797
local terms energy: -206.044526
where:
bonds (distance) C4'-P energy: -52.454
bonds (distance) P-C4' energy: -53.940
flat angles C4'-P-C4' energy: -54.507
flat angles P-C4'-P energy: -33.724
tors. eta vs tors. theta energy: -11.419
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: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1486.019849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.019849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.019849 (E_RNA)
where:
Base-Base interactions energy: -1048.593
where: short stacking energy: -430.721
Base-Backbone interact. energy: -0.412
local terms energy: -437.014176
where:
bonds (distance) C4'-P energy: -87.827
bonds (distance) P-C4' energy: -82.692
flat angles C4'-P-C4' energy: -87.280
flat angles P-C4'-P energy: -53.169
tors. eta vs tors. theta energy: -126.046
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: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1359.851370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.851370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.851370 (E_RNA)
where:
Base-Base interactions energy: -971.503
where: short stacking energy: -399.665
Base-Backbone interact. energy: -0.661
local terms energy: -387.688170
where:
bonds (distance) C4'-P energy: -75.287
bonds (distance) P-C4' energy: -75.377
flat angles C4'-P-C4' energy: -76.845
flat angles P-C4'-P energy: -53.383
tors. eta vs tors. theta energy: -106.797
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: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1334.629733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.629733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.629733 (E_RNA)
where:
Base-Base interactions energy: -937.596
where: short stacking energy: -396.490
Base-Backbone interact. energy: -1.951
local terms energy: -395.082378
where:
bonds (distance) C4'-P energy: -77.842
bonds (distance) P-C4' energy: -75.963
flat angles C4'-P-C4' energy: -80.514
flat angles P-C4'-P energy: -46.183
tors. eta vs tors. theta energy: -114.581
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: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1283.130792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.130792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.130792 (E_RNA)
where:
Base-Base interactions energy: -909.491
where: short stacking energy: -387.920
Base-Backbone interact. energy: -0.979
local terms energy: -372.660701
where:
bonds (distance) C4'-P energy: -62.751
bonds (distance) P-C4' energy: -66.306
flat angles C4'-P-C4' energy: -91.331
flat angles P-C4'-P energy: -49.551
tors. eta vs tors. theta energy: -102.722
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: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1216.317882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.317882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.317882 (E_RNA)
where:
Base-Base interactions energy: -870.235
where: short stacking energy: -357.618
Base-Backbone interact. energy: 3.631
local terms energy: -349.713386
where:
bonds (distance) C4'-P energy: -60.088
bonds (distance) P-C4' energy: -70.255
flat angles C4'-P-C4' energy: -73.280
flat angles P-C4'-P energy: -58.318
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: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1100.988979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.988979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.988979 (E_RNA)
where:
Base-Base interactions energy: -743.530
where: short stacking energy: -332.163
Base-Backbone interact. energy: -3.348
local terms energy: -354.111523
where:
bonds (distance) C4'-P energy: -70.226
bonds (distance) P-C4' energy: -60.850
flat angles C4'-P-C4' energy: -75.917
flat angles P-C4'-P energy: -52.779
tors. eta vs tors. theta energy: -94.339
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: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1040.745712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.745712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.745712 (E_RNA)
where:
Base-Base interactions energy: -715.010
where: short stacking energy: -298.196
Base-Backbone interact. energy: -2.758
local terms energy: -322.977722
where:
bonds (distance) C4'-P energy: -65.095
bonds (distance) P-C4' energy: -65.182
flat angles C4'-P-C4' energy: -69.889
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: -84.374
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: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -960.117832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.117832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.117832 (E_RNA)
where:
Base-Base interactions energy: -651.733
where: short stacking energy: -285.764
Base-Backbone interact. energy: 1.080
local terms energy: -309.465135
where:
bonds (distance) C4'-P energy: -54.542
bonds (distance) P-C4' energy: -64.657
flat angles C4'-P-C4' energy: -65.133
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: -74.442
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: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -924.531895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.531895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.531895 (E_RNA)
where:
Base-Base interactions energy: -640.492
where: short stacking energy: -262.930
Base-Backbone interact. energy: -0.949
local terms energy: -283.090478
where:
bonds (distance) C4'-P energy: -63.063
bonds (distance) P-C4' energy: -55.816
flat angles C4'-P-C4' energy: -48.843
flat angles P-C4'-P energy: -49.557
tors. eta vs tors. theta energy: -65.812
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: 263
Temperature: 1.350000
Total energy: -478.990977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.990977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.990977 (E_RNA)
where:
Base-Base interactions energy: -269.451
where: short stacking energy: -129.633
Base-Backbone interact. energy: -0.431
local terms energy: -209.108950
where:
bonds (distance) C4'-P energy: -59.924
bonds (distance) P-C4' energy: -60.011
flat angles C4'-P-C4' energy: -54.386
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -11.855
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: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1481.360929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.360929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.360929 (E_RNA)
where:
Base-Base interactions energy: -1054.039
where: short stacking energy: -438.525
Base-Backbone interact. energy: -0.784
local terms energy: -426.537175
where:
bonds (distance) C4'-P energy: -76.118
bonds (distance) P-C4' energy: -77.457
flat angles C4'-P-C4' energy: -91.977
flat angles P-C4'-P energy: -57.682
tors. eta vs tors. theta energy: -123.303
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: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1346.446270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.446270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.446270 (E_RNA)
where:
Base-Base interactions energy: -974.543
where: short stacking energy: -383.467
Base-Backbone interact. energy: -2.161
local terms energy: -369.742360
where:
bonds (distance) C4'-P energy: -69.701
bonds (distance) P-C4' energy: -68.377
flat angles C4'-P-C4' energy: -79.473
flat angles P-C4'-P energy: -54.429
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: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1319.028324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.028324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.028324 (E_RNA)
where:
Base-Base interactions energy: -936.249
where: short stacking energy: -394.854
Base-Backbone interact. energy: 0.102
local terms energy: -382.881145
where:
bonds (distance) C4'-P energy: -69.790
bonds (distance) P-C4' energy: -69.966
flat angles C4'-P-C4' energy: -82.992
flat angles P-C4'-P energy: -50.709
tors. eta vs tors. theta energy: -109.424
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: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1268.685008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.685008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.685008 (E_RNA)
where:
Base-Base interactions energy: -908.451
where: short stacking energy: -382.518
Base-Backbone interact. energy: -0.477
local terms energy: -359.756837
where:
bonds (distance) C4'-P energy: -64.514
bonds (distance) P-C4' energy: -64.562
flat angles C4'-P-C4' energy: -65.954
flat angles P-C4'-P energy: -55.980
tors. eta vs tors. theta energy: -108.747
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: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1217.876315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.876315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.876315 (E_RNA)
where:
Base-Base interactions energy: -856.419
where: short stacking energy: -346.577
Base-Backbone interact. energy: -1.136
local terms energy: -360.320522
where:
bonds (distance) C4'-P energy: -60.121
bonds (distance) P-C4' energy: -61.152
flat angles C4'-P-C4' energy: -80.741
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -99.812
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: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1095.295126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.295126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.295126 (E_RNA)
where:
Base-Base interactions energy: -755.946
where: short stacking energy: -325.991
Base-Backbone interact. energy: -1.981
local terms energy: -337.367856
where:
bonds (distance) C4'-P energy: -64.081
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -71.395
flat angles P-C4'-P energy: -45.600
tors. eta vs tors. theta energy: -92.561
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: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1027.593527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.593527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.593527 (E_RNA)
where:
Base-Base interactions energy: -687.850
where: short stacking energy: -306.756
Base-Backbone interact. energy: 3.128
local terms energy: -342.871638
where:
bonds (distance) C4'-P energy: -60.005
bonds (distance) P-C4' energy: -73.429
flat angles C4'-P-C4' energy: -69.644
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -88.110
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: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1028.192544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.192544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.192544 (E_RNA)
where:
Base-Base interactions energy: -706.982
where: short stacking energy: -305.519
Base-Backbone interact. energy: -2.399
local terms energy: -318.811356
where:
bonds (distance) C4'-P energy: -44.839
bonds (distance) P-C4' energy: -73.571
flat angles C4'-P-C4' energy: -75.323
flat angles P-C4'-P energy: -52.489
tors. eta vs tors. theta energy: -72.590
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: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -902.703082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.703082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.703082 (E_RNA)
where:
Base-Base interactions energy: -615.649
where: short stacking energy: -250.561
Base-Backbone interact. energy: 0.955
local terms energy: -288.009385
where:
bonds (distance) C4'-P energy: -65.193
bonds (distance) P-C4' energy: -67.043
flat angles C4'-P-C4' energy: -56.993
flat angles P-C4'-P energy: -38.046
tors. eta vs tors. theta energy: -60.734
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: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -591.183825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.183825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.183825 (E_RNA)
where:
Base-Base interactions energy: -323.529
where: short stacking energy: -159.520
Base-Backbone interact. energy: -1.925
local terms energy: -265.730179
where:
bonds (distance) C4'-P energy: -68.304
bonds (distance) P-C4' energy: -57.520
flat angles C4'-P-C4' energy: -68.887
flat angles P-C4'-P energy: -37.739
tors. eta vs tors. theta energy: -33.281
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: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1472.895398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.895398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.895398 (E_RNA)
where:
Base-Base interactions energy: -1043.586
where: short stacking energy: -418.541
Base-Backbone interact. energy: -0.282
local terms energy: -429.027806
where:
bonds (distance) C4'-P energy: -76.415
bonds (distance) P-C4' energy: -77.352
flat angles C4'-P-C4' energy: -88.984
flat angles P-C4'-P energy: -65.815
tors. eta vs tors. theta energy: -120.462
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: 265
Temperature: 0.950000
Total energy: -1349.819796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.819796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.819796 (E_RNA)
where:
Base-Base interactions energy: -969.183
where: short stacking energy: -378.597
Base-Backbone interact. energy: 2.406
local terms energy: -383.043518
where:
bonds (distance) C4'-P energy: -78.923
bonds (distance) P-C4' energy: -69.238
flat angles C4'-P-C4' energy: -84.119
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -96.163
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: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1291.561587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.561587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.561587 (E_RNA)
where:
Base-Base interactions energy: -905.674
where: short stacking energy: -390.536
Base-Backbone interact. energy: -1.482
local terms energy: -384.406080
where:
bonds (distance) C4'-P energy: -68.944
bonds (distance) P-C4' energy: -66.667
flat angles C4'-P-C4' energy: -86.432
flat angles P-C4'-P energy: -55.654
tors. eta vs tors. theta energy: -106.709
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: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1273.082689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.082689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.082689 (E_RNA)
where:
Base-Base interactions energy: -894.647
where: short stacking energy: -395.275
Base-Backbone interact. energy: 1.589
local terms energy: -380.024726
where:
bonds (distance) C4'-P energy: -59.077
bonds (distance) P-C4' energy: -79.634
flat angles C4'-P-C4' energy: -81.340
flat angles P-C4'-P energy: -51.494
tors. eta vs tors. theta energy: -108.480
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: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1192.598534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.598534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.598534 (E_RNA)
where:
Base-Base interactions energy: -838.428
where: short stacking energy: -350.677
Base-Backbone interact. energy: -1.490
local terms energy: -352.679907
where:
bonds (distance) C4'-P energy: -64.007
bonds (distance) P-C4' energy: -61.284
flat angles C4'-P-C4' energy: -78.820
flat angles P-C4'-P energy: -45.054
tors. eta vs tors. theta energy: -103.515
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: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1093.401845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.401845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.401845 (E_RNA)
where:
Base-Base interactions energy: -753.510
where: short stacking energy: -342.577
Base-Backbone interact. energy: -0.985
local terms energy: -338.906306
where:
bonds (distance) C4'-P energy: -56.584
bonds (distance) P-C4' energy: -68.227
flat angles C4'-P-C4' energy: -76.721
flat angles P-C4'-P energy: -45.140
tors. eta vs tors. theta energy: -92.235
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: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1005.993456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.993456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.993456 (E_RNA)
where:
Base-Base interactions energy: -681.471
where: short stacking energy: -301.998
Base-Backbone interact. energy: -1.403
local terms energy: -323.119597
where:
bonds (distance) C4'-P energy: -69.658
bonds (distance) P-C4' energy: -72.415
flat angles C4'-P-C4' energy: -65.031
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -77.419
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: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1024.009182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.009182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.009182 (E_RNA)
where:
Base-Base interactions energy: -715.064
where: short stacking energy: -309.155
Base-Backbone interact. energy: -2.855
local terms energy: -306.090216
where:
bonds (distance) C4'-P energy: -59.569
bonds (distance) P-C4' energy: -66.136
flat angles C4'-P-C4' energy: -61.690
flat angles P-C4'-P energy: -40.928
tors. eta vs tors. theta energy: -77.766
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: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -904.314234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.314234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.314234 (E_RNA)
where:
Base-Base interactions energy: -608.531
where: short stacking energy: -283.406
Base-Backbone interact. energy: -0.227
local terms energy: -295.556228
where:
bonds (distance) C4'-P energy: -56.644
bonds (distance) P-C4' energy: -74.716
flat angles C4'-P-C4' energy: -61.763
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -75.864
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: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -527.567799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.567799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.567799 (E_RNA)
where:
Base-Base interactions energy: -303.622
where: short stacking energy: -159.956
Base-Backbone interact. energy: 0.697
local terms energy: -224.642007
where:
bonds (distance) C4'-P energy: -59.001
bonds (distance) P-C4' energy: -57.467
flat angles C4'-P-C4' energy: -52.804
flat angles P-C4'-P energy: -35.459
tors. eta vs tors. theta energy: -19.911
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: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1492.134321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.134321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.134321 (E_RNA)
where:
Base-Base interactions energy: -1068.137
where: short stacking energy: -433.921
Base-Backbone interact. energy: 0.240
local terms energy: -424.237028
where:
bonds (distance) C4'-P energy: -82.632
bonds (distance) P-C4' energy: -75.190
flat angles C4'-P-C4' energy: -84.867
flat angles P-C4'-P energy: -61.628
tors. eta vs tors. theta energy: -119.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. 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: -1342.639324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.639324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.639324 (E_RNA)
where:
Base-Base interactions energy: -969.192
where: short stacking energy: -390.456
Base-Backbone interact. energy: 0.347
local terms energy: -373.794347
where:
bonds (distance) C4'-P energy: -77.098
bonds (distance) P-C4' energy: -58.927
flat angles C4'-P-C4' energy: -84.230
flat angles P-C4'-P energy: -55.701
tors. eta vs tors. theta energy: -97.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1310.599204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.599204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.599204 (E_RNA)
where:
Base-Base interactions energy: -914.495
where: short stacking energy: -386.659
Base-Backbone interact. energy: -1.915
local terms energy: -394.189194
where:
bonds (distance) C4'-P energy: -67.534
bonds (distance) P-C4' energy: -78.332
flat angles C4'-P-C4' energy: -85.630
flat angles P-C4'-P energy: -49.194
tors. eta vs tors. theta energy: -113.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1287.274147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.274147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.274147 (E_RNA)
where:
Base-Base interactions energy: -897.783
where: short stacking energy: -388.533
Base-Backbone interact. energy: -0.357
local terms energy: -389.134413
where:
bonds (distance) C4'-P energy: -74.013
bonds (distance) P-C4' energy: -75.606
flat angles C4'-P-C4' energy: -74.052
flat angles P-C4'-P energy: -54.515
tors. eta vs tors. theta energy: -110.948
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: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1188.684392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.684392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.684392 (E_RNA)
where:
Base-Base interactions energy: -833.030
where: short stacking energy: -329.849
Base-Backbone interact. energy: -0.854
local terms energy: -354.800867
where:
bonds (distance) C4'-P energy: -63.784
bonds (distance) P-C4' energy: -73.936
flat angles C4'-P-C4' energy: -73.910
flat angles P-C4'-P energy: -48.652
tors. eta vs tors. theta energy: -94.519
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: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1103.973436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.973436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.973436 (E_RNA)
where:
Base-Base interactions energy: -745.044
where: short stacking energy: -329.164
Base-Backbone interact. energy: -2.745
local terms energy: -356.183899
where:
bonds (distance) C4'-P energy: -70.471
bonds (distance) P-C4' energy: -73.446
flat angles C4'-P-C4' energy: -81.582
flat angles P-C4'-P energy: -40.759
tors. eta vs tors. theta energy: -89.926
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: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1041.434311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.434311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.434311 (E_RNA)
where:
Base-Base interactions energy: -721.607
where: short stacking energy: -313.846
Base-Backbone interact. energy: 1.397
local terms energy: -321.223986
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -65.188
flat angles C4'-P-C4' energy: -71.382
flat angles P-C4'-P energy: -49.020
tors. eta vs tors. theta energy: -80.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -973.097401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.097401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.097401 (E_RNA)
where:
Base-Base interactions energy: -665.549
where: short stacking energy: -276.170
Base-Backbone interact. energy: -0.461
local terms energy: -307.087552
where:
bonds (distance) C4'-P energy: -66.561
bonds (distance) P-C4' energy: -67.543
flat angles C4'-P-C4' energy: -66.618
flat angles P-C4'-P energy: -39.367
tors. eta vs tors. theta energy: -66.998
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: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -887.259582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.259582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.259582 (E_RNA)
where:
Base-Base interactions energy: -601.263
where: short stacking energy: -260.277
Base-Backbone interact. energy: 0.069
local terms energy: -286.065652
where:
bonds (distance) C4'-P energy: -54.267
bonds (distance) P-C4' energy: -56.569
flat angles C4'-P-C4' energy: -68.498
flat angles P-C4'-P energy: -40.908
tors. eta vs tors. theta energy: -65.825
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: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -542.155191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.155191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.155191 (E_RNA)
where:
Base-Base interactions energy: -321.497
where: short stacking energy: -157.272
Base-Backbone interact. energy: -0.070
local terms energy: -220.587844
where:
bonds (distance) C4'-P energy: -66.685
bonds (distance) P-C4' energy: -60.921
flat angles C4'-P-C4' energy: -50.607
flat angles P-C4'-P energy: -25.453
tors. eta vs tors. theta energy: -16.921
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: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1489.616320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.616320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.616320 (E_RNA)
where:
Base-Base interactions energy: -1057.950
where: short stacking energy: -433.035
Base-Backbone interact. energy: -1.531
local terms energy: -430.135208
where:
bonds (distance) C4'-P energy: -73.056
bonds (distance) P-C4' energy: -75.939
flat angles C4'-P-C4' energy: -88.198
flat angles P-C4'-P energy: -67.068
tors. eta vs tors. theta energy: -125.874
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: 2, replica: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1350.526515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.526515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.526515 (E_RNA)
where:
Base-Base interactions energy: -956.299
where: short stacking energy: -384.609
Base-Backbone interact. energy: -9.206
local terms energy: -385.021761
where:
bonds (distance) C4'-P energy: -72.456
bonds (distance) P-C4' energy: -74.144
flat angles C4'-P-C4' energy: -83.665
flat angles P-C4'-P energy: -53.389
tors. eta vs tors. theta energy: -101.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1313.121210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.121210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.121210 (E_RNA)
where:
Base-Base interactions energy: -912.992
where: short stacking energy: -403.523
Base-Backbone interact. energy: -0.680
local terms energy: -399.449383
where:
bonds (distance) C4'-P energy: -73.578
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -85.429
flat angles P-C4'-P energy: -58.627
tors. eta vs tors. theta energy: -114.627
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: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1288.635743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.635743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.635743 (E_RNA)
where:
Base-Base interactions energy: -918.659
where: short stacking energy: -396.246
Base-Backbone interact. energy: 0.051
local terms energy: -370.028308
where:
bonds (distance) C4'-P energy: -66.169
bonds (distance) P-C4' energy: -62.439
flat angles C4'-P-C4' energy: -69.941
flat angles P-C4'-P energy: -61.910
tors. eta vs tors. theta energy: -109.569
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: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1203.421259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.421259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.421259 (E_RNA)
where:
Base-Base interactions energy: -848.673
where: short stacking energy: -357.324
Base-Backbone interact. energy: 3.254
local terms energy: -358.002407
where:
bonds (distance) C4'-P energy: -66.558
bonds (distance) P-C4' energy: -72.298
flat angles C4'-P-C4' energy: -84.271
flat angles P-C4'-P energy: -41.656
tors. eta vs tors. theta energy: -93.219
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: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1117.070779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.070779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.070779 (E_RNA)
where:
Base-Base interactions energy: -776.002
where: short stacking energy: -346.431
Base-Backbone interact. energy: -1.697
local terms energy: -339.372050
where:
bonds (distance) C4'-P energy: -57.536
bonds (distance) P-C4' energy: -70.199
flat angles C4'-P-C4' energy: -76.596
flat angles P-C4'-P energy: -43.764
tors. eta vs tors. theta energy: -91.276
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: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1025.571540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.571540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.571540 (E_RNA)
where:
Base-Base interactions energy: -731.014
where: short stacking energy: -300.918
Base-Backbone interact. energy: 5.847
local terms energy: -300.404211
where:
bonds (distance) C4'-P energy: -63.880
bonds (distance) P-C4' energy: -49.879
flat angles C4'-P-C4' energy: -59.419
flat angles P-C4'-P energy: -45.066
tors. eta vs tors. theta energy: -82.160
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: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -953.342462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.342462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.342462 (E_RNA)
where:
Base-Base interactions energy: -653.709
where: short stacking energy: -277.569
Base-Backbone interact. energy: -2.640
local terms energy: -296.994242
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -70.314
flat angles P-C4'-P energy: -42.521
tors. eta vs tors. theta energy: -60.477
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: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -935.822825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.822825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.822825 (E_RNA)
where:
Base-Base interactions energy: -651.851
where: short stacking energy: -284.004
Base-Backbone interact. energy: -0.339
local terms energy: -283.632885
where:
bonds (distance) C4'-P energy: -54.816
bonds (distance) P-C4' energy: -57.353
flat angles C4'-P-C4' energy: -68.612
flat angles P-C4'-P energy: -33.263
tors. eta vs tors. theta energy: -69.589
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: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -542.697098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.697098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.697098 (E_RNA)
where:
Base-Base interactions energy: -311.948
where: short stacking energy: -158.415
Base-Backbone interact. energy: -0.366
local terms energy: -230.383501
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -70.919
flat angles C4'-P-C4' energy: -48.245
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: -16.751
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: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1490.032164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.032164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.032164 (E_RNA)
where:
Base-Base interactions energy: -1074.090
where: short stacking energy: -444.187
Base-Backbone interact. energy: 0.217
local terms energy: -416.159005
where:
bonds (distance) C4'-P energy: -75.107
bonds (distance) P-C4' energy: -79.486
flat angles C4'-P-C4' energy: -87.489
flat angles P-C4'-P energy: -54.869
tors. eta vs tors. theta energy: -119.208
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: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1362.437509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.437509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.437509 (E_RNA)
where:
Base-Base interactions energy: -973.393
where: short stacking energy: -400.278
Base-Backbone interact. energy: -2.387
local terms energy: -386.657686
where:
bonds (distance) C4'-P energy: -73.375
bonds (distance) P-C4' energy: -79.009
flat angles C4'-P-C4' energy: -82.904
flat angles P-C4'-P energy: -45.810
tors. eta vs tors. theta energy: -105.560
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: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1282.897957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.897957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.897957 (E_RNA)
where:
Base-Base interactions energy: -902.328
where: short stacking energy: -369.404
Base-Backbone interact. energy: -2.706
local terms energy: -377.863394
where:
bonds (distance) C4'-P energy: -62.364
bonds (distance) P-C4' energy: -80.631
flat angles C4'-P-C4' energy: -74.484
flat angles P-C4'-P energy: -61.804
tors. eta vs tors. theta energy: -98.581
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: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1299.220732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.220732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.220732 (E_RNA)
where:
Base-Base interactions energy: -914.472
where: short stacking energy: -392.135
Base-Backbone interact. energy: -0.961
local terms energy: -383.787113
where:
bonds (distance) C4'-P energy: -59.086
bonds (distance) P-C4' energy: -77.546
flat angles C4'-P-C4' energy: -91.554
flat angles P-C4'-P energy: -47.881
tors. eta vs tors. theta energy: -107.721
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: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1179.777557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.777557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.777557 (E_RNA)
where:
Base-Base interactions energy: -847.149
where: short stacking energy: -344.042
Base-Backbone interact. energy: 0.019
local terms energy: -332.647538
where:
bonds (distance) C4'-P energy: -57.316
bonds (distance) P-C4' energy: -66.125
flat angles C4'-P-C4' energy: -72.050
flat angles P-C4'-P energy: -51.988
tors. eta vs tors. theta energy: -85.168
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: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1112.913657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.913657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.913657 (E_RNA)
where:
Base-Base interactions energy: -772.536
where: short stacking energy: -329.608
Base-Backbone interact. energy: -0.205
local terms energy: -340.172300
where:
bonds (distance) C4'-P energy: -61.665
bonds (distance) P-C4' energy: -63.176
flat angles C4'-P-C4' energy: -76.157
flat angles P-C4'-P energy: -53.099
tors. eta vs tors. theta energy: -86.076
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: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1032.923234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.923234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.923234 (E_RNA)
where:
Base-Base interactions energy: -713.665
where: short stacking energy: -300.109
Base-Backbone interact. energy: -0.260
local terms energy: -318.998381
where:
bonds (distance) C4'-P energy: -66.205
bonds (distance) P-C4' energy: -72.333
flat angles C4'-P-C4' energy: -65.707
flat angles P-C4'-P energy: -46.994
tors. eta vs tors. theta energy: -67.759
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: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -972.407017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.407017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.407017 (E_RNA)
where:
Base-Base interactions energy: -659.557
where: short stacking energy: -305.222
Base-Backbone interact. energy: -0.904
local terms energy: -311.946683
where:
bonds (distance) C4'-P energy: -59.260
bonds (distance) P-C4' energy: -53.896
flat angles C4'-P-C4' energy: -78.264
flat angles P-C4'-P energy: -49.909
tors. eta vs tors. theta energy: -70.618
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: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -919.054065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.054065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.054065 (E_RNA)
where:
Base-Base interactions energy: -631.240
where: short stacking energy: -272.901
Base-Backbone interact. energy: -1.051
local terms energy: -286.763099
where:
bonds (distance) C4'-P energy: -63.942
bonds (distance) P-C4' energy: -62.664
flat angles C4'-P-C4' energy: -53.961
flat angles P-C4'-P energy: -43.626
tors. eta vs tors. theta energy: -62.570
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: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -536.712435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.712435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.712435 (E_RNA)
where:
Base-Base interactions energy: -320.610
where: short stacking energy: -161.465
Base-Backbone interact. energy: -0.806
local terms energy: -215.297154
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -61.912
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: -21.815
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: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1483.676141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.676141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.676141 (E_RNA)
where:
Base-Base interactions energy: -1060.400
where: short stacking energy: -432.308
Base-Backbone interact. energy: -1.902
local terms energy: -421.374720
where:
bonds (distance) C4'-P energy: -76.869
bonds (distance) P-C4' energy: -73.355
flat angles C4'-P-C4' energy: -91.939
flat angles P-C4'-P energy: -61.511
tors. eta vs tors. theta energy: -117.700
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: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1362.418186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.418186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.418186 (E_RNA)
where:
Base-Base interactions energy: -974.949
where: short stacking energy: -387.973
Base-Backbone interact. energy: -0.576
local terms energy: -386.893194
where:
bonds (distance) C4'-P energy: -70.870
bonds (distance) P-C4' energy: -82.480
flat angles C4'-P-C4' energy: -78.814
flat angles P-C4'-P energy: -54.003
tors. eta vs tors. theta energy: -100.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1282.727586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.727586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.727586 (E_RNA)
where:
Base-Base interactions energy: -902.443
where: short stacking energy: -384.909
Base-Backbone interact. energy: -0.938
local terms energy: -379.346772
where:
bonds (distance) C4'-P energy: -64.941
bonds (distance) P-C4' energy: -77.821
flat angles C4'-P-C4' energy: -79.159
flat angles P-C4'-P energy: -53.370
tors. eta vs tors. theta energy: -104.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1276.359130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.359130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.359130 (E_RNA)
where:
Base-Base interactions energy: -910.291
where: short stacking energy: -381.912
Base-Backbone interact. energy: -1.097
local terms energy: -364.971598
where:
bonds (distance) C4'-P energy: -63.235
bonds (distance) P-C4' energy: -70.238
flat angles C4'-P-C4' energy: -84.290
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -103.532
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: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1178.901390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.901390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.901390 (E_RNA)
where:
Base-Base interactions energy: -822.202
where: short stacking energy: -338.225
Base-Backbone interact. energy: -1.432
local terms energy: -355.267151
where:
bonds (distance) C4'-P energy: -78.298
bonds (distance) P-C4' energy: -70.740
flat angles C4'-P-C4' energy: -66.378
flat angles P-C4'-P energy: -50.603
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: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1120.274080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.274080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.274080 (E_RNA)
where:
Base-Base interactions energy: -793.212
where: short stacking energy: -336.926
Base-Backbone interact. energy: -1.033
local terms energy: -326.028808
where:
bonds (distance) C4'-P energy: -61.354
bonds (distance) P-C4' energy: -59.625
flat angles C4'-P-C4' energy: -67.508
flat angles P-C4'-P energy: -46.617
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: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1034.895256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.895256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.895256 (E_RNA)
where:
Base-Base interactions energy: -724.503
where: short stacking energy: -330.306
Base-Backbone interact. energy: 5.082
local terms energy: -315.474787
where:
bonds (distance) C4'-P energy: -50.365
bonds (distance) P-C4' energy: -65.293
flat angles C4'-P-C4' energy: -78.709
flat angles P-C4'-P energy: -32.549
tors. eta vs tors. theta energy: -88.559
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: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -988.805269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.805269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.805269 (E_RNA)
where:
Base-Base interactions energy: -687.715
where: short stacking energy: -305.120
Base-Backbone interact. energy: -2.877
local terms energy: -298.213819
where:
bonds (distance) C4'-P energy: -52.158
bonds (distance) P-C4' energy: -50.013
flat angles C4'-P-C4' energy: -68.169
flat angles P-C4'-P energy: -49.375
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: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -907.885251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.885251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.885251 (E_RNA)
where:
Base-Base interactions energy: -594.820
where: short stacking energy: -261.593
Base-Backbone interact. energy: -0.562
local terms energy: -312.503036
where:
bonds (distance) C4'-P energy: -64.615
bonds (distance) P-C4' energy: -63.037
flat angles C4'-P-C4' energy: -69.947
flat angles P-C4'-P energy: -47.017
tors. eta vs tors. theta energy: -67.886
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: 269
Temperature: 1.350000
Total energy: -532.502464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.502464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.502464 (E_RNA)
where:
Base-Base interactions energy: -293.832
where: short stacking energy: -163.709
Base-Backbone interact. energy: -0.592
local terms energy: -238.078922
where:
bonds (distance) C4'-P energy: -66.498
bonds (distance) P-C4' energy: -47.643
flat angles C4'-P-C4' energy: -66.191
flat angles P-C4'-P energy: -41.226
tors. eta vs tors. theta energy: -16.521
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: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1486.583722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.583722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.583722 (E_RNA)
where:
Base-Base interactions energy: -1070.079
where: short stacking energy: -449.252
Base-Backbone interact. energy: -0.645
local terms energy: -415.859534
where:
bonds (distance) C4'-P energy: -67.871
bonds (distance) P-C4' energy: -80.915
flat angles C4'-P-C4' energy: -83.243
flat angles P-C4'-P energy: -59.629
tors. eta vs tors. theta energy: -124.202
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: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1359.427407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.427407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.427407 (E_RNA)
where:
Base-Base interactions energy: -964.765
where: short stacking energy: -388.749
Base-Backbone interact. energy: -2.677
local terms energy: -391.984818
where:
bonds (distance) C4'-P energy: -77.032
bonds (distance) P-C4' energy: -77.927
flat angles C4'-P-C4' energy: -88.054
flat angles P-C4'-P energy: -48.249
tors. eta vs tors. theta energy: -100.723
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: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1297.894491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.894491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.894491 (E_RNA)
where:
Base-Base interactions energy: -907.540
where: short stacking energy: -386.681
Base-Backbone interact. energy: -1.339
local terms energy: -389.015243
where:
bonds (distance) C4'-P energy: -76.425
bonds (distance) P-C4' energy: -72.972
flat angles C4'-P-C4' energy: -82.056
flat angles P-C4'-P energy: -45.651
tors. eta vs tors. theta energy: -111.911
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: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1255.123549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.123549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.123549 (E_RNA)
where:
Base-Base interactions energy: -894.147
where: short stacking energy: -374.700
Base-Backbone interact. energy: -1.533
local terms energy: -359.443379
where:
bonds (distance) C4'-P energy: -78.626
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -64.727
flat angles P-C4'-P energy: -46.578
tors. eta vs tors. theta energy: -105.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1178.516966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.516966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.516966 (E_RNA)
where:
Base-Base interactions energy: -834.088
where: short stacking energy: -353.770
Base-Backbone interact. energy: 1.115
local terms energy: -345.543715
where:
bonds (distance) C4'-P energy: -62.931
bonds (distance) P-C4' energy: -66.828
flat angles C4'-P-C4' energy: -74.649
flat angles P-C4'-P energy: -50.990
tors. eta vs tors. theta energy: -90.146
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: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1140.472396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.472396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.472396 (E_RNA)
where:
Base-Base interactions energy: -782.680
where: short stacking energy: -355.284
Base-Backbone interact. energy: -1.124
local terms energy: -356.668564
where:
bonds (distance) C4'-P energy: -78.192
bonds (distance) P-C4' energy: -61.685
flat angles C4'-P-C4' energy: -69.840
flat angles P-C4'-P energy: -47.192
tors. eta vs tors. theta energy: -99.759
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: 270
Temperature: 1.200000
Total energy: -1017.926783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.926783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.926783 (E_RNA)
where:
Base-Base interactions energy: -692.268
where: short stacking energy: -288.811
Base-Backbone interact. energy: -0.772
local terms energy: -324.886895
where:
bonds (distance) C4'-P energy: -64.904
bonds (distance) P-C4' energy: -73.190
flat angles C4'-P-C4' energy: -82.102
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -73.505
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: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -995.493139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.493139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.493139 (E_RNA)
where:
Base-Base interactions energy: -681.656
where: short stacking energy: -323.759
Base-Backbone interact. energy: -1.038
local terms energy: -312.799189
where:
bonds (distance) C4'-P energy: -63.738
bonds (distance) P-C4' energy: -64.933
flat angles C4'-P-C4' energy: -63.071
flat angles P-C4'-P energy: -50.785
tors. eta vs tors. theta energy: -70.272
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: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -876.482939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.482939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.482939 (E_RNA)
where:
Base-Base interactions energy: -600.786
where: short stacking energy: -280.293
Base-Backbone interact. energy: -0.708
local terms energy: -274.989748
where:
bonds (distance) C4'-P energy: -62.423
bonds (distance) P-C4' energy: -70.332
flat angles C4'-P-C4' energy: -63.429
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -59.734
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: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -534.695449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.695449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.695449 (E_RNA)
where:
Base-Base interactions energy: -310.983
where: short stacking energy: -136.540
Base-Backbone interact. energy: -2.604
local terms energy: -221.107888
where:
bonds (distance) C4'-P energy: -58.845
bonds (distance) P-C4' energy: -58.557
flat angles C4'-P-C4' energy: -60.901
flat angles P-C4'-P energy: -38.691
tors. eta vs tors. theta energy: -4.115
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: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1488.643484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.643484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.643484 (E_RNA)
where:
Base-Base interactions energy: -1071.218
where: short stacking energy: -440.630
Base-Backbone interact. energy: -2.784
local terms energy: -414.641578
where:
bonds (distance) C4'-P energy: -71.058
bonds (distance) P-C4' energy: -75.245
flat angles C4'-P-C4' energy: -83.432
flat angles P-C4'-P energy: -62.423
tors. eta vs tors. theta energy: -122.484
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: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1325.465851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.465851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.465851 (E_RNA)
where:
Base-Base interactions energy: -927.187
where: short stacking energy: -389.912
Base-Backbone interact. energy: -4.191
local terms energy: -394.088324
where:
bonds (distance) C4'-P energy: -79.160
bonds (distance) P-C4' energy: -75.426
flat angles C4'-P-C4' energy: -77.251
flat angles P-C4'-P energy: -55.504
tors. eta vs tors. theta energy: -106.748
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: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1318.028215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.028215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.028215 (E_RNA)
where:
Base-Base interactions energy: -938.464
where: short stacking energy: -368.489
Base-Backbone interact. energy: -1.013
local terms energy: -378.551654
where:
bonds (distance) C4'-P energy: -71.191
bonds (distance) P-C4' energy: -73.389
flat angles C4'-P-C4' energy: -76.158
flat angles P-C4'-P energy: -62.149
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: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1267.187020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.187020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.187020 (E_RNA)
where:
Base-Base interactions energy: -900.391
where: short stacking energy: -386.239
Base-Backbone interact. energy: -1.306
local terms energy: -365.489780
where:
bonds (distance) C4'-P energy: -60.720
bonds (distance) P-C4' energy: -70.274
flat angles C4'-P-C4' energy: -75.655
flat angles P-C4'-P energy: -50.107
tors. eta vs tors. theta energy: -108.733
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: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1214.579405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.579405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.579405 (E_RNA)
where:
Base-Base interactions energy: -857.177
where: short stacking energy: -349.074
Base-Backbone interact. energy: -2.434
local terms energy: -354.967828
where:
bonds (distance) C4'-P energy: -57.963
bonds (distance) P-C4' energy: -72.193
flat angles C4'-P-C4' energy: -77.190
flat angles P-C4'-P energy: -54.039
tors. eta vs tors. theta energy: -93.583
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: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1151.895993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.895993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.895993 (E_RNA)
where:
Base-Base interactions energy: -798.603
where: short stacking energy: -361.752
Base-Backbone interact. energy: -2.055
local terms energy: -351.237759
where:
bonds (distance) C4'-P energy: -63.253
bonds (distance) P-C4' energy: -66.034
flat angles C4'-P-C4' energy: -69.973
flat angles P-C4'-P energy: -47.499
tors. eta vs tors. theta energy: -104.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1039.125823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.125823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.125823 (E_RNA)
where:
Base-Base interactions energy: -709.547
where: short stacking energy: -322.621
Base-Backbone interact. energy: -1.007
local terms energy: -328.571737
where:
bonds (distance) C4'-P energy: -56.244
bonds (distance) P-C4' energy: -68.185
flat angles C4'-P-C4' energy: -71.544
flat angles P-C4'-P energy: -53.140
tors. eta vs tors. theta energy: -79.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -988.870845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.870845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.870845 (E_RNA)
where:
Base-Base interactions energy: -665.053
where: short stacking energy: -305.525
Base-Backbone interact. energy: -0.460
local terms energy: -323.357777
where:
bonds (distance) C4'-P energy: -57.624
bonds (distance) P-C4' energy: -63.677
flat angles C4'-P-C4' energy: -70.045
flat angles P-C4'-P energy: -53.499
tors. eta vs tors. theta energy: -78.512
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: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -890.100615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.100615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.100615 (E_RNA)
where:
Base-Base interactions energy: -575.193
where: short stacking energy: -274.946
Base-Backbone interact. energy: -1.227
local terms energy: -313.680298
where:
bonds (distance) C4'-P energy: -63.253
bonds (distance) P-C4' energy: -68.337
flat angles C4'-P-C4' energy: -64.007
flat angles P-C4'-P energy: -56.837
tors. eta vs tors. theta energy: -61.246
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: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -556.694383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.694383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.694383 (E_RNA)
where:
Base-Base interactions energy: -347.814
where: short stacking energy: -158.656
Base-Backbone interact. energy: 0.986
local terms energy: -209.866155
where:
bonds (distance) C4'-P energy: -54.853
bonds (distance) P-C4' energy: -54.357
flat angles C4'-P-C4' energy: -48.752
flat angles P-C4'-P energy: -32.861
tors. eta vs tors. theta energy: -19.043
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: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1493.266559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.266559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.266559 (E_RNA)
where:
Base-Base interactions energy: -1059.716
where: short stacking energy: -433.327
Base-Backbone interact. energy: -0.642
local terms energy: -432.908585
where:
bonds (distance) C4'-P energy: -79.885
bonds (distance) P-C4' energy: -73.447
flat angles C4'-P-C4' energy: -87.918
flat angles P-C4'-P energy: -67.640
tors. eta vs tors. theta energy: -124.019
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: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1330.973995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.973995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.973995 (E_RNA)
where:
Base-Base interactions energy: -945.079
where: short stacking energy: -410.485
Base-Backbone interact. energy: -1.131
local terms energy: -384.764563
where:
bonds (distance) C4'-P energy: -66.949
bonds (distance) P-C4' energy: -64.440
flat angles C4'-P-C4' energy: -89.081
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -107.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1309.900987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.900987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.900987 (E_RNA)
where:
Base-Base interactions energy: -926.470
where: short stacking energy: -366.141
Base-Backbone interact. energy: 0.146
local terms energy: -383.576872
where:
bonds (distance) C4'-P energy: -70.705
bonds (distance) P-C4' energy: -72.985
flat angles C4'-P-C4' energy: -83.796
flat angles P-C4'-P energy: -51.113
tors. eta vs tors. theta energy: -104.978
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: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1293.789474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.789474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.789474 (E_RNA)
where:
Base-Base interactions energy: -900.967
where: short stacking energy: -390.979
Base-Backbone interact. energy: -1.505
local terms energy: -391.317778
where:
bonds (distance) C4'-P energy: -75.107
bonds (distance) P-C4' energy: -71.760
flat angles C4'-P-C4' energy: -79.974
flat angles P-C4'-P energy: -54.659
tors. eta vs tors. theta energy: -109.819
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: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1192.200898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.200898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.200898 (E_RNA)
where:
Base-Base interactions energy: -834.649
where: short stacking energy: -341.485
Base-Backbone interact. energy: -4.106
local terms energy: -353.445676
where:
bonds (distance) C4'-P energy: -65.590
bonds (distance) P-C4' energy: -67.587
flat angles C4'-P-C4' energy: -75.889
flat angles P-C4'-P energy: -55.723
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: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1132.373989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.373989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.373989 (E_RNA)
where:
Base-Base interactions energy: -781.965
where: short stacking energy: -340.400
Base-Backbone interact. energy: -1.748
local terms energy: -348.661717
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -70.196
flat angles C4'-P-C4' energy: -79.396
flat angles P-C4'-P energy: -42.939
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: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1061.075026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.075026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.075026 (E_RNA)
where:
Base-Base interactions energy: -739.251
where: short stacking energy: -310.565
Base-Backbone interact. energy: -1.208
local terms energy: -320.615820
where:
bonds (distance) C4'-P energy: -54.379
bonds (distance) P-C4' energy: -64.553
flat angles C4'-P-C4' energy: -69.784
flat angles P-C4'-P energy: -52.580
tors. eta vs tors. theta energy: -79.321
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: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -978.364733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.364733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.364733 (E_RNA)
where:
Base-Base interactions energy: -662.773
where: short stacking energy: -297.433
Base-Backbone interact. energy: 1.566
local terms energy: -317.158273
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -76.522
flat angles C4'-P-C4' energy: -71.504
flat angles P-C4'-P energy: -36.134
tors. eta vs tors. theta energy: -85.041
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: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -886.204220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.204220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.204220 (E_RNA)
where:
Base-Base interactions energy: -594.989
where: short stacking energy: -262.609
Base-Backbone interact. energy: -0.556
local terms energy: -290.659304
where:
bonds (distance) C4'-P energy: -55.477
bonds (distance) P-C4' energy: -59.811
flat angles C4'-P-C4' energy: -76.113
flat angles P-C4'-P energy: -43.701
tors. eta vs tors. theta energy: -55.558
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: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -571.276315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.276315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.276315 (E_RNA)
where:
Base-Base interactions energy: -334.215
where: short stacking energy: -162.760
Base-Backbone interact. energy: -1.645
local terms energy: -235.416390
where:
bonds (distance) C4'-P energy: -52.514
bonds (distance) P-C4' energy: -67.951
flat angles C4'-P-C4' energy: -63.100
flat angles P-C4'-P energy: -42.468
tors. eta vs tors. theta energy: -9.384
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: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1484.835266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.835266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.835266 (E_RNA)
where:
Base-Base interactions energy: -1072.162
where: short stacking energy: -421.468
Base-Backbone interact. energy: -1.396
local terms energy: -411.277585
where:
bonds (distance) C4'-P energy: -64.590
bonds (distance) P-C4' energy: -81.309
flat angles C4'-P-C4' energy: -88.262
flat angles P-C4'-P energy: -56.324
tors. eta vs tors. theta energy: -120.792
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: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1333.147158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.147158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.147158 (E_RNA)
where:
Base-Base interactions energy: -936.323
where: short stacking energy: -387.614
Base-Backbone interact. energy: -3.721
local terms energy: -393.102310
where:
bonds (distance) C4'-P energy: -75.661
bonds (distance) P-C4' energy: -74.866
flat angles C4'-P-C4' energy: -82.235
flat angles P-C4'-P energy: -55.419
tors. eta vs tors. theta energy: -104.922
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: 273
Temperature: 1.000000
Total energy: -1292.118422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.118422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.118422 (E_RNA)
where:
Base-Base interactions energy: -912.338
where: short stacking energy: -396.666
Base-Backbone interact. energy: 2.160
local terms energy: -381.940482
where:
bonds (distance) C4'-P energy: -73.427
bonds (distance) P-C4' energy: -64.978
flat angles C4'-P-C4' energy: -86.069
flat angles P-C4'-P energy: -46.482
tors. eta vs tors. theta energy: -110.985
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: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1229.173279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.173279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.173279 (E_RNA)
where:
Base-Base interactions energy: -873.180
where: short stacking energy: -356.552
Base-Backbone interact. energy: -1.618
local terms energy: -354.374686
where:
bonds (distance) C4'-P energy: -65.394
bonds (distance) P-C4' energy: -63.488
flat angles C4'-P-C4' energy: -73.578
flat angles P-C4'-P energy: -51.291
tors. eta vs tors. theta energy: -100.624
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: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1246.463693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.463693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.463693 (E_RNA)
where:
Base-Base interactions energy: -855.229
where: short stacking energy: -374.918
Base-Backbone interact. energy: 3.405
local terms energy: -394.640236
where:
bonds (distance) C4'-P energy: -72.667
bonds (distance) P-C4' energy: -73.595
flat angles C4'-P-C4' energy: -81.916
flat angles P-C4'-P energy: -56.898
tors. eta vs tors. theta energy: -109.565
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: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1055.625424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.625424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.625424 (E_RNA)
where:
Base-Base interactions energy: -741.707
where: short stacking energy: -313.952
Base-Backbone interact. energy: -0.434
local terms energy: -313.483873
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -72.406
flat angles C4'-P-C4' energy: -76.948
flat angles P-C4'-P energy: -42.671
tors. eta vs tors. theta energy: -75.789
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: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1117.171074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.171074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.171074 (E_RNA)
where:
Base-Base interactions energy: -782.225
where: short stacking energy: -327.684
Base-Backbone interact. energy: -0.406
local terms energy: -334.540502
where:
bonds (distance) C4'-P energy: -65.421
bonds (distance) P-C4' energy: -62.548
flat angles C4'-P-C4' energy: -70.119
flat angles P-C4'-P energy: -38.416
tors. eta vs tors. theta energy: -98.036
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: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -941.977237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.977237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.977237 (E_RNA)
where:
Base-Base interactions energy: -626.393
where: short stacking energy: -270.963
Base-Backbone interact. energy: 2.450
local terms energy: -318.034270
where:
bonds (distance) C4'-P energy: -63.107
bonds (distance) P-C4' energy: -70.299
flat angles C4'-P-C4' energy: -81.425
flat angles P-C4'-P energy: -27.209
tors. eta vs tors. theta energy: -75.995
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: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -917.279528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.279528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.279528 (E_RNA)
where:
Base-Base interactions energy: -640.073
where: short stacking energy: -258.237
Base-Backbone interact. energy: 1.992
local terms energy: -279.198356
where:
bonds (distance) C4'-P energy: -61.710
bonds (distance) P-C4' energy: -68.636
flat angles C4'-P-C4' energy: -50.891
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -56.935
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: 273
Temperature: 1.350000
Total energy: -566.564251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.564251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.564251 (E_RNA)
where:
Base-Base interactions energy: -368.364
where: short stacking energy: -171.259
Base-Backbone interact. energy: 7.239
local terms energy: -205.438429
where:
bonds (distance) C4'-P energy: -55.320
bonds (distance) P-C4' energy: -69.968
flat angles C4'-P-C4' energy: -48.399
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -19.016
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: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1481.324359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.324359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.324359 (E_RNA)
where:
Base-Base interactions energy: -1066.056
where: short stacking energy: -431.739
Base-Backbone interact. energy: -0.563
local terms energy: -414.705541
where:
bonds (distance) C4'-P energy: -75.080
bonds (distance) P-C4' energy: -82.767
flat angles C4'-P-C4' energy: -77.788
flat angles P-C4'-P energy: -58.371
tors. eta vs tors. theta energy: -120.699
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: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1353.644057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.644057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.644057 (E_RNA)
where:
Base-Base interactions energy: -982.618
where: short stacking energy: -389.950
Base-Backbone interact. energy: -0.289
local terms energy: -370.737051
where:
bonds (distance) C4'-P energy: -75.480
bonds (distance) P-C4' energy: -70.727
flat angles C4'-P-C4' energy: -76.146
flat angles P-C4'-P energy: -56.821
tors. eta vs tors. theta energy: -91.564
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: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1305.132032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.132032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.132032 (E_RNA)
where:
Base-Base interactions energy: -909.716
where: short stacking energy: -398.824
Base-Backbone interact. energy: 0.598
local terms energy: -396.013359
where:
bonds (distance) C4'-P energy: -71.663
bonds (distance) P-C4' energy: -63.550
flat angles C4'-P-C4' energy: -84.203
flat angles P-C4'-P energy: -59.191
tors. eta vs tors. theta energy: -117.406
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: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1256.542113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.542113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.542113 (E_RNA)
where:
Base-Base interactions energy: -888.774
where: short stacking energy: -364.616
Base-Backbone interact. energy: -1.305
local terms energy: -366.463533
where:
bonds (distance) C4'-P energy: -68.040
bonds (distance) P-C4' energy: -79.915
flat angles C4'-P-C4' energy: -80.414
flat angles P-C4'-P energy: -43.621
tors. eta vs tors. theta energy: -94.474
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: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1270.472535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.472535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.472535 (E_RNA)
where:
Base-Base interactions energy: -899.551
where: short stacking energy: -383.101
Base-Backbone interact. energy: -1.560
local terms energy: -369.361377
where:
bonds (distance) C4'-P energy: -60.457
bonds (distance) P-C4' energy: -68.434
flat angles C4'-P-C4' energy: -72.688
flat angles P-C4'-P energy: -57.895
tors. eta vs tors. theta energy: -109.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1057.124005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.124005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.124005 (E_RNA)
where:
Base-Base interactions energy: -732.140
where: short stacking energy: -301.916
Base-Backbone interact. energy: -1.261
local terms energy: -323.723664
where:
bonds (distance) C4'-P energy: -66.130
bonds (distance) P-C4' energy: -69.397
flat angles C4'-P-C4' energy: -75.160
flat angles P-C4'-P energy: -40.685
tors. eta vs tors. theta energy: -72.351
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: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1121.682572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.682572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.682572 (E_RNA)
where:
Base-Base interactions energy: -774.071
where: short stacking energy: -337.584
Base-Backbone interact. energy: -1.730
local terms energy: -345.881716
where:
bonds (distance) C4'-P energy: -57.068
bonds (distance) P-C4' energy: -68.747
flat angles C4'-P-C4' energy: -79.094
flat angles P-C4'-P energy: -46.522
tors. eta vs tors. theta energy: -94.451
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: 8, replica: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -976.751859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.751859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.751859 (E_RNA)
where:
Base-Base interactions energy: -673.856
where: short stacking energy: -284.587
Base-Backbone interact. energy: -1.322
local terms energy: -301.573672
where:
bonds (distance) C4'-P energy: -70.300
bonds (distance) P-C4' energy: -43.502
flat angles C4'-P-C4' energy: -56.388
flat angles P-C4'-P energy: -53.457
tors. eta vs tors. theta energy: -77.928
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: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -934.136308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.136308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.136308 (E_RNA)
where:
Base-Base interactions energy: -630.726
where: short stacking energy: -264.892
Base-Backbone interact. energy: -3.248
local terms energy: -300.162259
where:
bonds (distance) C4'-P energy: -55.794
bonds (distance) P-C4' energy: -60.566
flat angles C4'-P-C4' energy: -74.673
flat angles P-C4'-P energy: -41.147
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: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -610.319263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.319263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.319263 (E_RNA)
where:
Base-Base interactions energy: -401.853
where: short stacking energy: -190.332
Base-Backbone interact. energy: 3.441
local terms energy: -211.906757
where:
bonds (distance) C4'-P energy: -46.863
bonds (distance) P-C4' energy: -60.490
flat angles C4'-P-C4' energy: -55.520
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -26.120
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: 275
Temperature: 0.900000
Total energy: -1477.697311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.697311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.697311 (E_RNA)
where:
Base-Base interactions energy: -1067.531
where: short stacking energy: -430.750
Base-Backbone interact. energy: -2.449
local terms energy: -407.717295
where:
bonds (distance) C4'-P energy: -67.129
bonds (distance) P-C4' energy: -75.893
flat angles C4'-P-C4' energy: -82.639
flat angles P-C4'-P energy: -55.954
tors. eta vs tors. theta energy: -126.103
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: 2, replica: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1357.781586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.781586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.781586 (E_RNA)
where:
Base-Base interactions energy: -992.106
where: short stacking energy: -390.675
Base-Backbone interact. energy: 0.690
local terms energy: -366.364903
where:
bonds (distance) C4'-P energy: -62.658
bonds (distance) P-C4' energy: -77.965
flat angles C4'-P-C4' energy: -74.757
flat angles P-C4'-P energy: -55.066
tors. eta vs tors. theta energy: -95.919
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: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1313.192173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.192173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.192173 (E_RNA)
where:
Base-Base interactions energy: -916.583
where: short stacking energy: -397.283
Base-Backbone interact. energy: -1.190
local terms energy: -395.419628
where:
bonds (distance) C4'-P energy: -68.301
bonds (distance) P-C4' energy: -79.612
flat angles C4'-P-C4' energy: -76.959
flat angles P-C4'-P energy: -57.106
tors. eta vs tors. theta energy: -113.442
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: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1279.637228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.637228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.637228 (E_RNA)
where:
Base-Base interactions energy: -909.179
where: short stacking energy: -390.017
Base-Backbone interact. energy: -2.120
local terms energy: -368.338216
where:
bonds (distance) C4'-P energy: -52.777
bonds (distance) P-C4' energy: -70.860
flat angles C4'-P-C4' energy: -89.290
flat angles P-C4'-P energy: -50.040
tors. eta vs tors. theta energy: -105.372
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: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1224.868632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.868632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.868632 (E_RNA)
where:
Base-Base interactions energy: -867.235
where: short stacking energy: -367.339
Base-Backbone interact. energy: -3.323
local terms energy: -354.310941
where:
bonds (distance) C4'-P energy: -65.951
bonds (distance) P-C4' energy: -55.077
flat angles C4'-P-C4' energy: -80.586
flat angles P-C4'-P energy: -50.148
tors. eta vs tors. theta energy: -102.549
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: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1139.761030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.761030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.761030 (E_RNA)
where:
Base-Base interactions energy: -785.378
where: short stacking energy: -334.012
Base-Backbone interact. energy: -0.615
local terms energy: -353.767480
where:
bonds (distance) C4'-P energy: -73.969
bonds (distance) P-C4' energy: -68.914
flat angles C4'-P-C4' energy: -74.597
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -97.496
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: 275
Temperature: 1.200000
Total energy: -1022.602833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.602833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.602833 (E_RNA)
where:
Base-Base interactions energy: -722.919
where: short stacking energy: -296.581
Base-Backbone interact. energy: -2.151
local terms energy: -297.532604
where:
bonds (distance) C4'-P energy: -58.281
bonds (distance) P-C4' energy: -65.245
flat angles C4'-P-C4' energy: -59.065
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -76.880
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: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -952.838447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.838447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.838447 (E_RNA)
where:
Base-Base interactions energy: -652.293
where: short stacking energy: -274.914
Base-Backbone interact. energy: -0.322
local terms energy: -300.224033
where:
bonds (distance) C4'-P energy: -61.266
bonds (distance) P-C4' energy: -69.940
flat angles C4'-P-C4' energy: -65.477
flat angles P-C4'-P energy: -40.905
tors. eta vs tors. theta energy: -62.637
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: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -911.208279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.208279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.208279 (E_RNA)
where:
Base-Base interactions energy: -631.596
where: short stacking energy: -282.273
Base-Backbone interact. energy: -0.791
local terms energy: -278.821443
where:
bonds (distance) C4'-P energy: -61.032
bonds (distance) P-C4' energy: -52.456
flat angles C4'-P-C4' energy: -66.900
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: -62.762
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: 275
Temperature: 1.350000
Total energy: -557.214401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.214401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.214401 (E_RNA)
where:
Base-Base interactions energy: -328.598
where: short stacking energy: -163.518
Base-Backbone interact. energy: -0.935
local terms energy: -227.681393
where:
bonds (distance) C4'-P energy: -55.090
bonds (distance) P-C4' energy: -69.463
flat angles C4'-P-C4' energy: -54.533
flat angles P-C4'-P energy: -28.394
tors. eta vs tors. theta energy: -20.202
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: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1370.145354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.145354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.145354 (E_RNA)
where:
Base-Base interactions energy: -987.425
where: short stacking energy: -406.658
Base-Backbone interact. energy: -1.432
local terms energy: -381.288210
where:
bonds (distance) C4'-P energy: -75.385
bonds (distance) P-C4' energy: -63.723
flat angles C4'-P-C4' energy: -84.393
flat angles P-C4'-P energy: -53.669
tors. eta vs tors. theta energy: -104.117
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: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1449.939996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.939996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.939996 (E_RNA)
where:
Base-Base interactions energy: -1048.458
where: short stacking energy: -429.750
Base-Backbone interact. energy: -0.780
local terms energy: -400.701844
where:
bonds (distance) C4'-P energy: -67.564
bonds (distance) P-C4' energy: -74.010
flat angles C4'-P-C4' energy: -79.372
flat angles P-C4'-P energy: -62.195
tors. eta vs tors. theta energy: -117.562
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: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1291.836946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.836946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.836946 (E_RNA)
where:
Base-Base interactions energy: -897.729
where: short stacking energy: -380.813
Base-Backbone interact. energy: -1.579
local terms energy: -392.529169
where:
bonds (distance) C4'-P energy: -71.999
bonds (distance) P-C4' energy: -72.962
flat angles C4'-P-C4' energy: -89.976
flat angles P-C4'-P energy: -52.749
tors. eta vs tors. theta energy: -104.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1277.057318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.057318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.057318 (E_RNA)
where:
Base-Base interactions energy: -896.344
where: short stacking energy: -387.750
Base-Backbone interact. energy: -0.952
local terms energy: -379.761247
where:
bonds (distance) C4'-P energy: -68.048
bonds (distance) P-C4' energy: -64.961
flat angles C4'-P-C4' energy: -87.267
flat angles P-C4'-P energy: -52.764
tors. eta vs tors. theta energy: -106.722
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: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1235.429759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.429759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.429759 (E_RNA)
where:
Base-Base interactions energy: -872.695
where: short stacking energy: -347.447
Base-Backbone interact. energy: -1.891
local terms energy: -360.843681
where:
bonds (distance) C4'-P energy: -65.511
bonds (distance) P-C4' energy: -64.410
flat angles C4'-P-C4' energy: -72.189
flat angles P-C4'-P energy: -61.126
tors. eta vs tors. theta energy: -97.608
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: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1168.473207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.473207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.473207 (E_RNA)
where:
Base-Base interactions energy: -798.605
where: short stacking energy: -356.204
Base-Backbone interact. energy: -0.807
local terms energy: -369.060790
where:
bonds (distance) C4'-P energy: -65.039
bonds (distance) P-C4' energy: -67.412
flat angles C4'-P-C4' energy: -80.396
flat angles P-C4'-P energy: -51.128
tors. eta vs tors. theta energy: -105.085
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: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1007.474897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.474897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.474897 (E_RNA)
where:
Base-Base interactions energy: -704.469
where: short stacking energy: -294.798
Base-Backbone interact. energy: 0.028
local terms energy: -303.034681
where:
bonds (distance) C4'-P energy: -60.734
bonds (distance) P-C4' energy: -66.613
flat angles C4'-P-C4' energy: -60.382
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -76.646
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: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -914.177074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.177074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.177074 (E_RNA)
where:
Base-Base interactions energy: -627.596
where: short stacking energy: -250.461
Base-Backbone interact. energy: -1.425
local terms energy: -285.155887
where:
bonds (distance) C4'-P energy: -66.541
bonds (distance) P-C4' energy: -60.526
flat angles C4'-P-C4' energy: -56.172
flat angles P-C4'-P energy: -41.222
tors. eta vs tors. theta energy: -60.695
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: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -914.869976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.869976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.869976 (E_RNA)
where:
Base-Base interactions energy: -621.634
where: short stacking energy: -281.625
Base-Backbone interact. energy: -0.704
local terms energy: -292.531992
where:
bonds (distance) C4'-P energy: -52.348
bonds (distance) P-C4' energy: -54.611
flat angles C4'-P-C4' energy: -63.217
flat angles P-C4'-P energy: -46.011
tors. eta vs tors. theta energy: -76.344
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: 276
Temperature: 1.350000
Total energy: -548.758293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.758293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.758293 (E_RNA)
where:
Base-Base interactions energy: -330.514
where: short stacking energy: -159.518
Base-Backbone interact. energy: -1.473
local terms energy: -216.771456
where:
bonds (distance) C4'-P energy: -57.548
bonds (distance) P-C4' energy: -51.282
flat angles C4'-P-C4' energy: -58.620
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -19.618
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: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1374.960912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.960912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.960912 (E_RNA)
where:
Base-Base interactions energy: -990.930
where: short stacking energy: -386.404
Base-Backbone interact. energy: -1.454
local terms energy: -382.576674
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -76.082
flat angles C4'-P-C4' energy: -75.826
flat angles P-C4'-P energy: -53.601
tors. eta vs tors. theta energy: -110.521
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: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1464.525930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.525930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.525930 (E_RNA)
where:
Base-Base interactions energy: -1040.463
where: short stacking energy: -433.487
Base-Backbone interact. energy: -1.203
local terms energy: -422.860440
where:
bonds (distance) C4'-P energy: -79.031
bonds (distance) P-C4' energy: -77.703
flat angles C4'-P-C4' energy: -87.388
flat angles P-C4'-P energy: -57.538
tors. eta vs tors. theta energy: -121.201
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: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1296.338915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.338915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.338915 (E_RNA)
where:
Base-Base interactions energy: -901.434
where: short stacking energy: -381.912
Base-Backbone interact. energy: -0.806
local terms energy: -394.099046
where:
bonds (distance) C4'-P energy: -64.984
bonds (distance) P-C4' energy: -77.935
flat angles C4'-P-C4' energy: -88.017
flat angles P-C4'-P energy: -52.535
tors. eta vs tors. theta energy: -110.628
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1287.464293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.464293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.464293 (E_RNA)
where:
Base-Base interactions energy: -885.655
where: short stacking energy: -375.317
Base-Backbone interact. energy: -0.821
local terms energy: -400.989142
where:
bonds (distance) C4'-P energy: -69.567
bonds (distance) P-C4' energy: -86.592
flat angles C4'-P-C4' energy: -76.914
flat angles P-C4'-P energy: -58.615
tors. eta vs tors. theta energy: -109.300
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: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1218.670829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.670829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.670829 (E_RNA)
where:
Base-Base interactions energy: -861.427
where: short stacking energy: -345.742
Base-Backbone interact. energy: -2.187
local terms energy: -355.057399
where:
bonds (distance) C4'-P energy: -53.692
bonds (distance) P-C4' energy: -66.528
flat angles C4'-P-C4' energy: -77.232
flat angles P-C4'-P energy: -54.061
tors. eta vs tors. theta energy: -103.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1143.193281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.193281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.193281 (E_RNA)
where:
Base-Base interactions energy: -780.703
where: short stacking energy: -363.165
Base-Backbone interact. energy: 0.399
local terms energy: -362.888999
where:
bonds (distance) C4'-P energy: -72.039
bonds (distance) P-C4' energy: -61.760
flat angles C4'-P-C4' energy: -67.580
flat angles P-C4'-P energy: -59.449
tors. eta vs tors. theta energy: -102.060
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: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1034.042471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.042471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.042471 (E_RNA)
where:
Base-Base interactions energy: -713.668
where: short stacking energy: -306.010
Base-Backbone interact. energy: 0.334
local terms energy: -320.708736
where:
bonds (distance) C4'-P energy: -62.563
bonds (distance) P-C4' energy: -59.006
flat angles C4'-P-C4' energy: -79.453
flat angles P-C4'-P energy: -41.403
tors. eta vs tors. theta energy: -78.283
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: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -916.570606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.570606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.570606 (E_RNA)
where:
Base-Base interactions energy: -622.557
where: short stacking energy: -271.330
Base-Backbone interact. energy: -0.967
local terms energy: -293.046652
where:
bonds (distance) C4'-P energy: -63.178
bonds (distance) P-C4' energy: -52.821
flat angles C4'-P-C4' energy: -66.386
flat angles P-C4'-P energy: -44.474
tors. eta vs tors. theta energy: -66.187
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: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -877.052400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.052400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.052400 (E_RNA)
where:
Base-Base interactions energy: -607.990
where: short stacking energy: -260.706
Base-Backbone interact. energy: -1.727
local terms energy: -267.334807
where:
bonds (distance) C4'-P energy: -63.350
bonds (distance) P-C4' energy: -56.821
flat angles C4'-P-C4' energy: -63.349
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: -52.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -569.662788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.662788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.662788 (E_RNA)
where:
Base-Base interactions energy: -332.722
where: short stacking energy: -135.586
Base-Backbone interact. energy: -1.965
local terms energy: -234.975988
where:
bonds (distance) C4'-P energy: -66.396
bonds (distance) P-C4' energy: -60.100
flat angles C4'-P-C4' energy: -55.256
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1488.467678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.467678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.467678 (E_RNA)
where:
Base-Base interactions energy: -1075.333
where: short stacking energy: -434.353
Base-Backbone interact. energy: -1.694
local terms energy: -411.441291
where:
bonds (distance) C4'-P energy: -84.204
bonds (distance) P-C4' energy: -64.872
flat angles C4'-P-C4' energy: -84.726
flat angles P-C4'-P energy: -55.773
tors. eta vs tors. theta energy: -121.866
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: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1376.113243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.113243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.113243 (E_RNA)
where:
Base-Base interactions energy: -977.702
where: short stacking energy: -390.628
Base-Backbone interact. energy: -0.847
local terms energy: -397.564803
where:
bonds (distance) C4'-P energy: -84.121
bonds (distance) P-C4' energy: -75.607
flat angles C4'-P-C4' energy: -84.455
flat angles P-C4'-P energy: -60.465
tors. eta vs tors. theta energy: -92.917
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: 278
Temperature: 1.000000
Total energy: -1307.652107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.652107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.652107 (E_RNA)
where:
Base-Base interactions energy: -912.101
where: short stacking energy: -400.984
Base-Backbone interact. energy: -0.469
local terms energy: -395.082476
where:
bonds (distance) C4'-P energy: -73.377
bonds (distance) P-C4' energy: -73.409
flat angles C4'-P-C4' energy: -88.973
flat angles P-C4'-P energy: -49.719
tors. eta vs tors. theta energy: -109.605
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: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1287.416622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.416622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.416622 (E_RNA)
where:
Base-Base interactions energy: -898.659
where: short stacking energy: -395.813
Base-Backbone interact. energy: -1.119
local terms energy: -387.638935
where:
bonds (distance) C4'-P energy: -75.829
bonds (distance) P-C4' energy: -68.755
flat angles C4'-P-C4' energy: -79.943
flat angles P-C4'-P energy: -52.225
tors. eta vs tors. theta energy: -110.886
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: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1221.572850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.572850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.572850 (E_RNA)
where:
Base-Base interactions energy: -839.190
where: short stacking energy: -346.445
Base-Backbone interact. energy: -0.027
local terms energy: -382.355444
where:
bonds (distance) C4'-P energy: -71.976
bonds (distance) P-C4' energy: -75.385
flat angles C4'-P-C4' energy: -79.431
flat angles P-C4'-P energy: -59.800
tors. eta vs tors. theta energy: -95.763
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: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1129.804192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.804192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.804192 (E_RNA)
where:
Base-Base interactions energy: -778.071
where: short stacking energy: -359.933
Base-Backbone interact. energy: 0.779
local terms energy: -352.512336
where:
bonds (distance) C4'-P energy: -65.103
bonds (distance) P-C4' energy: -58.790
flat angles C4'-P-C4' energy: -83.875
flat angles P-C4'-P energy: -46.534
tors. eta vs tors. theta energy: -98.211
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: 278
Temperature: 1.200000
Total energy: -1049.454456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.454456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.454456 (E_RNA)
where:
Base-Base interactions energy: -726.811
where: short stacking energy: -311.708
Base-Backbone interact. energy: -1.729
local terms energy: -320.914130
where:
bonds (distance) C4'-P energy: -62.924
bonds (distance) P-C4' energy: -64.471
flat angles C4'-P-C4' energy: -71.238
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -78.714
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: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -945.857146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.857146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.857146 (E_RNA)
where:
Base-Base interactions energy: -625.687
where: short stacking energy: -270.876
Base-Backbone interact. energy: 1.819
local terms energy: -321.990061
where:
bonds (distance) C4'-P energy: -75.534
bonds (distance) P-C4' energy: -67.458
flat angles C4'-P-C4' energy: -65.154
flat angles P-C4'-P energy: -48.309
tors. eta vs tors. theta energy: -65.535
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: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -880.365747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.365747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.365747 (E_RNA)
where:
Base-Base interactions energy: -607.054
where: short stacking energy: -272.574
Base-Backbone interact. energy: -0.491
local terms energy: -272.820880
where:
bonds (distance) C4'-P energy: -51.057
bonds (distance) P-C4' energy: -57.151
flat angles C4'-P-C4' energy: -64.843
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: -62.684
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: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -550.952013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.952013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.952013 (E_RNA)
where:
Base-Base interactions energy: -320.685
where: short stacking energy: -142.739
Base-Backbone interact. energy: 2.984
local terms energy: -233.251129
where:
bonds (distance) C4'-P energy: -55.707
bonds (distance) P-C4' energy: -60.149
flat angles C4'-P-C4' energy: -53.410
flat angles P-C4'-P energy: -36.580
tors. eta vs tors. theta energy: -27.405
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: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1482.443085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.443085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.443085 (E_RNA)
where:
Base-Base interactions energy: -1078.839
where: short stacking energy: -460.392
Base-Backbone interact. energy: -0.947
local terms energy: -402.656818
where:
bonds (distance) C4'-P energy: -74.928
bonds (distance) P-C4' energy: -68.191
flat angles C4'-P-C4' energy: -87.678
flat angles P-C4'-P energy: -47.374
tors. eta vs tors. theta energy: -124.485
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: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1339.998005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.998005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.998005 (E_RNA)
where:
Base-Base interactions energy: -964.104
where: short stacking energy: -391.329
Base-Backbone interact. energy: -2.562
local terms energy: -373.331897
where:
bonds (distance) C4'-P energy: -69.812
bonds (distance) P-C4' energy: -72.452
flat angles C4'-P-C4' energy: -75.183
flat angles P-C4'-P energy: -53.839
tors. eta vs tors. theta energy: -102.046
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: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1312.043492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.043492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.043492 (E_RNA)
where:
Base-Base interactions energy: -934.275
where: short stacking energy: -393.002
Base-Backbone interact. energy: -0.647
local terms energy: -377.121475
where:
bonds (distance) C4'-P energy: -79.831
bonds (distance) P-C4' energy: -61.810
flat angles C4'-P-C4' energy: -80.484
flat angles P-C4'-P energy: -46.763
tors. eta vs tors. theta energy: -108.234
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: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1272.004215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.004215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.004215 (E_RNA)
where:
Base-Base interactions energy: -893.476
where: short stacking energy: -377.863
Base-Backbone interact. energy: 0.126
local terms energy: -378.653875
where:
bonds (distance) C4'-P energy: -66.456
bonds (distance) P-C4' energy: -66.259
flat angles C4'-P-C4' energy: -85.871
flat angles P-C4'-P energy: -55.679
tors. eta vs tors. theta energy: -104.389
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: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1196.287745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.287745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.287745 (E_RNA)
where:
Base-Base interactions energy: -848.092
where: short stacking energy: -352.195
Base-Backbone interact. energy: -0.163
local terms energy: -348.032871
where:
bonds (distance) C4'-P energy: -65.054
bonds (distance) P-C4' energy: -65.075
flat angles C4'-P-C4' energy: -79.684
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: -93.351
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: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1102.483788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.483788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.483788 (E_RNA)
where:
Base-Base interactions energy: -755.638
where: short stacking energy: -331.068
Base-Backbone interact. energy: 0.223
local terms energy: -347.069259
where:
bonds (distance) C4'-P energy: -75.136
bonds (distance) P-C4' energy: -73.804
flat angles C4'-P-C4' energy: -66.192
flat angles P-C4'-P energy: -52.252
tors. eta vs tors. theta energy: -79.685
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: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1001.101777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.101777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.101777 (E_RNA)
where:
Base-Base interactions energy: -673.942
where: short stacking energy: -270.023
Base-Backbone interact. energy: 2.549
local terms energy: -329.709257
where:
bonds (distance) C4'-P energy: -70.335
bonds (distance) P-C4' energy: -62.190
flat angles C4'-P-C4' energy: -75.107
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: -71.385
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: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -949.616681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.616681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.616681 (E_RNA)
where:
Base-Base interactions energy: -655.488
where: short stacking energy: -293.836
Base-Backbone interact. energy: 0.810
local terms energy: -294.938810
where:
bonds (distance) C4'-P energy: -53.785
bonds (distance) P-C4' energy: -57.491
flat angles C4'-P-C4' energy: -76.284
flat angles P-C4'-P energy: -41.566
tors. eta vs tors. theta energy: -65.814
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: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -854.325757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.325757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.325757 (E_RNA)
where:
Base-Base interactions energy: -597.751
where: short stacking energy: -237.772
Base-Backbone interact. energy: 4.922
local terms energy: -261.496641
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -56.761
flat angles C4'-P-C4' energy: -70.572
flat angles P-C4'-P energy: -35.890
tors. eta vs tors. theta energy: -57.261
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: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -568.916132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.916132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.916132 (E_RNA)
where:
Base-Base interactions energy: -367.855
where: short stacking energy: -161.427
Base-Backbone interact. energy: 4.409
local terms energy: -205.469908
where:
bonds (distance) C4'-P energy: -48.764
bonds (distance) P-C4' energy: -63.375
flat angles C4'-P-C4' energy: -35.646
flat angles P-C4'-P energy: -34.572
tors. eta vs tors. theta energy: -23.112
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: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1474.211858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.211858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.211858 (E_RNA)
where:
Base-Base interactions energy: -1076.390
where: short stacking energy: -449.958
Base-Backbone interact. energy: 0.556
local terms energy: -398.378546
where:
bonds (distance) C4'-P energy: -73.266
bonds (distance) P-C4' energy: -54.894
flat angles C4'-P-C4' energy: -89.441
flat angles P-C4'-P energy: -58.753
tors. eta vs tors. theta energy: -122.025
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: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1334.542386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.542386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.542386 (E_RNA)
where:
Base-Base interactions energy: -966.749
where: short stacking energy: -383.020
Base-Backbone interact. energy: -2.753
local terms energy: -365.040447
where:
bonds (distance) C4'-P energy: -74.210
bonds (distance) P-C4' energy: -63.208
flat angles C4'-P-C4' energy: -84.082
flat angles P-C4'-P energy: -52.818
tors. eta vs tors. theta energy: -90.722
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: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1312.399392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.399392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.399392 (E_RNA)
where:
Base-Base interactions energy: -915.130
where: short stacking energy: -391.609
Base-Backbone interact. energy: -3.402
local terms energy: -393.867750
where:
bonds (distance) C4'-P energy: -69.995
bonds (distance) P-C4' energy: -63.947
flat angles C4'-P-C4' energy: -84.196
flat angles P-C4'-P energy: -56.904
tors. eta vs tors. theta energy: -118.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1294.618844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.618844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.618844 (E_RNA)
where:
Base-Base interactions energy: -912.132
where: short stacking energy: -380.210
Base-Backbone interact. energy: -2.634
local terms energy: -379.852997
where:
bonds (distance) C4'-P energy: -57.346
bonds (distance) P-C4' energy: -76.706
flat angles C4'-P-C4' energy: -81.327
flat angles P-C4'-P energy: -56.275
tors. eta vs tors. theta energy: -108.198
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: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1183.038906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.038906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.038906 (E_RNA)
where:
Base-Base interactions energy: -830.742
where: short stacking energy: -326.339
Base-Backbone interact. energy: -1.132
local terms energy: -351.164910
where:
bonds (distance) C4'-P energy: -66.171
bonds (distance) P-C4' energy: -66.066
flat angles C4'-P-C4' energy: -78.402
flat angles P-C4'-P energy: -50.262
tors. eta vs tors. theta energy: -90.265
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: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1142.658429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.658429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.658429 (E_RNA)
where:
Base-Base interactions energy: -810.036
where: short stacking energy: -366.059
Base-Backbone interact. energy: 1.142
local terms energy: -333.764662
where:
bonds (distance) C4'-P energy: -67.153
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -75.248
flat angles P-C4'-P energy: -47.189
tors. eta vs tors. theta energy: -90.014
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: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1037.971907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.971907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.971907 (E_RNA)
where:
Base-Base interactions energy: -723.044
where: short stacking energy: -303.429
Base-Backbone interact. energy: -2.750
local terms energy: -312.178076
where:
bonds (distance) C4'-P energy: -57.443
bonds (distance) P-C4' energy: -70.955
flat angles C4'-P-C4' energy: -62.567
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: -84.999
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: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -946.229138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.229138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.229138 (E_RNA)
where:
Base-Base interactions energy: -644.684
where: short stacking energy: -306.552
Base-Backbone interact. energy: -0.944
local terms energy: -300.601290
where:
bonds (distance) C4'-P energy: -50.161
bonds (distance) P-C4' energy: -69.325
flat angles C4'-P-C4' energy: -55.507
flat angles P-C4'-P energy: -43.141
tors. eta vs tors. theta energy: -82.467
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: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -845.503232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.503232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.503232 (E_RNA)
where:
Base-Base interactions energy: -559.115
where: short stacking energy: -261.100
Base-Backbone interact. energy: 0.199
local terms energy: -286.586821
where:
bonds (distance) C4'-P energy: -68.032
bonds (distance) P-C4' energy: -55.864
flat angles C4'-P-C4' energy: -77.707
flat angles P-C4'-P energy: -34.727
tors. eta vs tors. theta energy: -50.257
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: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -572.289853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.289853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.289853 (E_RNA)
where:
Base-Base interactions energy: -336.420
where: short stacking energy: -142.179
Base-Backbone interact. energy: 0.828
local terms energy: -236.697489
where:
bonds (distance) C4'-P energy: -62.379
bonds (distance) P-C4' energy: -67.760
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -36.834
tors. eta vs tors. theta energy: -14.722
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: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1467.376253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.376253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.376253 (E_RNA)
where:
Base-Base interactions energy: -1050.327
where: short stacking energy: -436.072
Base-Backbone interact. energy: -0.447
local terms energy: -416.602288
where:
bonds (distance) C4'-P energy: -78.232
bonds (distance) P-C4' energy: -64.985
flat angles C4'-P-C4' energy: -84.766
flat angles P-C4'-P energy: -64.180
tors. eta vs tors. theta energy: -124.440
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: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1332.278374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.278374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.278374 (E_RNA)
where:
Base-Base interactions energy: -959.447
where: short stacking energy: -366.364
Base-Backbone interact. energy: 7.273
local terms energy: -380.104137
where:
bonds (distance) C4'-P energy: -78.565
bonds (distance) P-C4' energy: -71.042
flat angles C4'-P-C4' energy: -81.145
flat angles P-C4'-P energy: -52.061
tors. eta vs tors. theta energy: -97.292
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: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1304.760228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.760228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.760228 (E_RNA)
where:
Base-Base interactions energy: -908.225
where: short stacking energy: -397.462
Base-Backbone interact. energy: 2.061
local terms energy: -398.595952
where:
bonds (distance) C4'-P energy: -80.389
bonds (distance) P-C4' energy: -68.364
flat angles C4'-P-C4' energy: -78.170
flat angles P-C4'-P energy: -64.623
tors. eta vs tors. theta energy: -107.050
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: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1284.164304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.164304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.164304 (E_RNA)
where:
Base-Base interactions energy: -899.351
where: short stacking energy: -385.548
Base-Backbone interact. energy: 1.437
local terms energy: -386.250132
where:
bonds (distance) C4'-P energy: -68.669
bonds (distance) P-C4' energy: -73.290
flat angles C4'-P-C4' energy: -83.579
flat angles P-C4'-P energy: -47.434
tors. eta vs tors. theta energy: -113.278
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: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1191.842390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.842390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.842390 (E_RNA)
where:
Base-Base interactions energy: -830.970
where: short stacking energy: -343.539
Base-Backbone interact. energy: -2.032
local terms energy: -358.840927
where:
bonds (distance) C4'-P energy: -62.588
bonds (distance) P-C4' energy: -80.320
flat angles C4'-P-C4' energy: -80.349
flat angles P-C4'-P energy: -50.053
tors. eta vs tors. theta energy: -85.531
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: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1137.361860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.361860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.361860 (E_RNA)
where:
Base-Base interactions energy: -787.575
where: short stacking energy: -360.171
Base-Backbone interact. energy: -1.674
local terms energy: -348.113522
where:
bonds (distance) C4'-P energy: -62.831
bonds (distance) P-C4' energy: -63.438
flat angles C4'-P-C4' energy: -72.482
flat angles P-C4'-P energy: -49.034
tors. eta vs tors. theta energy: -100.328
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: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1044.107517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.107517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.107517 (E_RNA)
where:
Base-Base interactions energy: -715.577
where: short stacking energy: -298.949
Base-Backbone interact. energy: 0.105
local terms energy: -328.635742
where:
bonds (distance) C4'-P energy: -60.256
bonds (distance) P-C4' energy: -67.259
flat angles C4'-P-C4' energy: -73.022
flat angles P-C4'-P energy: -51.165
tors. eta vs tors. theta energy: -76.934
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: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -935.217879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.217879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.217879 (E_RNA)
where:
Base-Base interactions energy: -630.422
where: short stacking energy: -268.873
Base-Backbone interact. energy: -0.952
local terms energy: -303.844271
where:
bonds (distance) C4'-P energy: -65.301
bonds (distance) P-C4' energy: -59.212
flat angles C4'-P-C4' energy: -67.067
flat angles P-C4'-P energy: -45.957
tors. eta vs tors. theta energy: -66.308
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: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -916.274070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.274070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.274070 (E_RNA)
where:
Base-Base interactions energy: -617.428
where: short stacking energy: -257.866
Base-Backbone interact. energy: -0.841
local terms energy: -298.004577
where:
bonds (distance) C4'-P energy: -58.540
bonds (distance) P-C4' energy: -60.712
flat angles C4'-P-C4' energy: -65.187
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -68.165
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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -573.948308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.948308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.948308 (E_RNA)
where:
Base-Base interactions energy: -351.657
where: short stacking energy: -169.990
Base-Backbone interact. energy: 0.619
local terms energy: -222.910900
where:
bonds (distance) C4'-P energy: -55.293
bonds (distance) P-C4' energy: -64.612
flat angles C4'-P-C4' energy: -48.502
flat angles P-C4'-P energy: -27.458
tors. eta vs tors. theta energy: -27.046
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: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1462.885285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.885285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.885285 (E_RNA)
where:
Base-Base interactions energy: -1042.651
where: short stacking energy: -424.322
Base-Backbone interact. energy: -0.122
local terms energy: -420.112088
where:
bonds (distance) C4'-P energy: -70.370
bonds (distance) P-C4' energy: -72.120
flat angles C4'-P-C4' energy: -91.232
flat angles P-C4'-P energy: -68.684
tors. eta vs tors. theta energy: -117.706
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: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1333.825621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.825621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.825621 (E_RNA)
where:
Base-Base interactions energy: -954.734
where: short stacking energy: -372.092
Base-Backbone interact. energy: -2.151
local terms energy: -376.940691
where:
bonds (distance) C4'-P energy: -61.557
bonds (distance) P-C4' energy: -76.542
flat angles C4'-P-C4' energy: -78.825
flat angles P-C4'-P energy: -58.082
tors. eta vs tors. theta energy: -101.934
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: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1312.933126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.933126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.933126 (E_RNA)
where:
Base-Base interactions energy: -920.722
where: short stacking energy: -393.648
Base-Backbone interact. energy: 2.754
local terms energy: -394.965391
where:
bonds (distance) C4'-P energy: -75.296
bonds (distance) P-C4' energy: -64.271
flat angles C4'-P-C4' energy: -82.329
flat angles P-C4'-P energy: -58.728
tors. eta vs tors. theta energy: -114.343
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: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1271.948066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.948066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.948066 (E_RNA)
where:
Base-Base interactions energy: -904.283
where: short stacking energy: -395.112
Base-Backbone interact. energy: -0.925
local terms energy: -366.740478
where:
bonds (distance) C4'-P energy: -60.161
bonds (distance) P-C4' energy: -72.602
flat angles C4'-P-C4' energy: -79.741
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -110.400
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: 282
Temperature: 1.100000
Total energy: -1202.426687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.426687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.426687 (E_RNA)
where:
Base-Base interactions energy: -841.055
where: short stacking energy: -375.583
Base-Backbone interact. energy: -0.327
local terms energy: -361.044795
where:
bonds (distance) C4'-P energy: -67.264
bonds (distance) P-C4' energy: -63.915
flat angles C4'-P-C4' energy: -72.657
flat angles P-C4'-P energy: -52.719
tors. eta vs tors. theta energy: -104.490
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: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1189.886356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.886356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.886356 (E_RNA)
where:
Base-Base interactions energy: -830.616
where: short stacking energy: -354.596
Base-Backbone interact. energy: -2.169
local terms energy: -357.101372
where:
bonds (distance) C4'-P energy: -65.324
bonds (distance) P-C4' energy: -65.308
flat angles C4'-P-C4' energy: -78.438
flat angles P-C4'-P energy: -49.860
tors. eta vs tors. theta energy: -98.171
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: 282
Temperature: 1.200000
Total energy: -1042.533220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.533220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.533220 (E_RNA)
where:
Base-Base interactions energy: -723.208
where: short stacking energy: -284.642
Base-Backbone interact. energy: -0.157
local terms energy: -319.168026
where:
bonds (distance) C4'-P energy: -61.788
bonds (distance) P-C4' energy: -75.984
flat angles C4'-P-C4' energy: -69.076
flat angles P-C4'-P energy: -45.235
tors. eta vs tors. theta energy: -67.085
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: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -974.342027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.342027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.342027 (E_RNA)
where:
Base-Base interactions energy: -676.744
where: short stacking energy: -292.860
Base-Backbone interact. energy: 4.762
local terms energy: -302.359746
where:
bonds (distance) C4'-P energy: -69.962
bonds (distance) P-C4' energy: -58.649
flat angles C4'-P-C4' energy: -63.025
flat angles P-C4'-P energy: -37.842
tors. eta vs tors. theta energy: -72.882
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: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -904.915264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.915264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.915264 (E_RNA)
where:
Base-Base interactions energy: -643.049
where: short stacking energy: -273.301
Base-Backbone interact. energy: -0.395
local terms energy: -261.471278
where:
bonds (distance) C4'-P energy: -39.645
bonds (distance) P-C4' energy: -50.612
flat angles C4'-P-C4' energy: -73.543
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -67.515
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: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -550.441569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.441569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.441569 (E_RNA)
where:
Base-Base interactions energy: -337.772
where: short stacking energy: -159.962
Base-Backbone interact. energy: -1.856
local terms energy: -210.813287
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -57.698
flat angles C4'-P-C4' energy: -53.297
flat angles P-C4'-P energy: -32.242
tors. eta vs tors. theta energy: -17.957
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: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1461.341377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.341377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.341377 (E_RNA)
where:
Base-Base interactions energy: -1047.938
where: short stacking energy: -434.154
Base-Backbone interact. energy: -0.428
local terms energy: -412.975597
where:
bonds (distance) C4'-P energy: -77.945
bonds (distance) P-C4' energy: -68.581
flat angles C4'-P-C4' energy: -90.232
flat angles P-C4'-P energy: -56.755
tors. eta vs tors. theta energy: -119.462
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: 283
Temperature: 0.950000
Total energy: -1321.321555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.321555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.321555 (E_RNA)
where:
Base-Base interactions energy: -948.042
where: short stacking energy: -368.083
Base-Backbone interact. energy: -0.530
local terms energy: -372.749118
where:
bonds (distance) C4'-P energy: -68.899
bonds (distance) P-C4' energy: -76.239
flat angles C4'-P-C4' energy: -72.864
flat angles P-C4'-P energy: -64.423
tors. eta vs tors. theta energy: -90.324
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: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1326.468220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.468220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.468220 (E_RNA)
where:
Base-Base interactions energy: -928.428
where: short stacking energy: -370.439
Base-Backbone interact. energy: -0.215
local terms energy: -397.825016
where:
bonds (distance) C4'-P energy: -68.697
bonds (distance) P-C4' energy: -73.671
flat angles C4'-P-C4' energy: -85.629
flat angles P-C4'-P energy: -60.250
tors. eta vs tors. theta energy: -109.578
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: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1280.611996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.611996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.611996 (E_RNA)
where:
Base-Base interactions energy: -895.192
where: short stacking energy: -376.259
Base-Backbone interact. energy: 1.279
local terms energy: -386.699141
where:
bonds (distance) C4'-P energy: -62.957
bonds (distance) P-C4' energy: -76.967
flat angles C4'-P-C4' energy: -78.567
flat angles P-C4'-P energy: -60.541
tors. eta vs tors. theta energy: -107.667
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: 283
Temperature: 1.100000
Total energy: -1190.097364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.097364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.097364 (E_RNA)
where:
Base-Base interactions energy: -821.230
where: short stacking energy: -360.107
Base-Backbone interact. energy: -0.806
local terms energy: -368.061051
where:
bonds (distance) C4'-P energy: -68.049
bonds (distance) P-C4' energy: -68.884
flat angles C4'-P-C4' energy: -79.350
flat angles P-C4'-P energy: -50.165
tors. eta vs tors. theta energy: -101.613
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: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1178.842040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.842040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.842040 (E_RNA)
where:
Base-Base interactions energy: -847.496
where: short stacking energy: -350.174
Base-Backbone interact. energy: -1.792
local terms energy: -329.554038
where:
bonds (distance) C4'-P energy: -56.255
bonds (distance) P-C4' energy: -64.609
flat angles C4'-P-C4' energy: -76.666
flat angles P-C4'-P energy: -46.271
tors. eta vs tors. theta energy: -85.752
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: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1065.146210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.146210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.146210 (E_RNA)
where:
Base-Base interactions energy: -743.939
where: short stacking energy: -320.918
Base-Backbone interact. energy: -0.526
local terms energy: -320.681729
where:
bonds (distance) C4'-P energy: -53.976
bonds (distance) P-C4' energy: -69.777
flat angles C4'-P-C4' energy: -74.294
flat angles P-C4'-P energy: -47.668
tors. eta vs tors. theta energy: -74.967
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: 283
Temperature: 1.250000
Total energy: -983.082195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.082195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.082195 (E_RNA)
where:
Base-Base interactions energy: -682.022
where: short stacking energy: -297.333
Base-Backbone interact. energy: -1.180
local terms energy: -299.879908
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -52.475
flat angles C4'-P-C4' energy: -65.627
flat angles P-C4'-P energy: -46.825
tors. eta vs tors. theta energy: -72.331
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: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -883.172663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.172663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.172663 (E_RNA)
where:
Base-Base interactions energy: -612.042
where: short stacking energy: -255.371
Base-Backbone interact. energy: 2.089
local terms energy: -273.219625
where:
bonds (distance) C4'-P energy: -48.703
bonds (distance) P-C4' energy: -68.942
flat angles C4'-P-C4' energy: -69.498
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -54.704
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: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -601.056358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.056358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.056358 (E_RNA)
where:
Base-Base interactions energy: -380.998
where: short stacking energy: -179.888
Base-Backbone interact. energy: -1.782
local terms energy: -218.276374
where:
bonds (distance) C4'-P energy: -53.569
bonds (distance) P-C4' energy: -57.958
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -31.687
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: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1482.163151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.163151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.163151 (E_RNA)
where:
Base-Base interactions energy: -1067.747
where: short stacking energy: -441.617
Base-Backbone interact. energy: 0.919
local terms energy: -415.334652
where:
bonds (distance) C4'-P energy: -68.173
bonds (distance) P-C4' energy: -78.904
flat angles C4'-P-C4' energy: -96.517
flat angles P-C4'-P energy: -57.360
tors. eta vs tors. theta energy: -114.381
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: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1337.066943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.066943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.066943 (E_RNA)
where:
Base-Base interactions energy: -949.779
where: short stacking energy: -381.813
Base-Backbone interact. energy: 0.046
local terms energy: -387.333255
where:
bonds (distance) C4'-P energy: -72.299
bonds (distance) P-C4' energy: -77.140
flat angles C4'-P-C4' energy: -84.355
flat angles P-C4'-P energy: -50.256
tors. eta vs tors. theta energy: -103.283
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: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1326.602800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.602800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.602800 (E_RNA)
where:
Base-Base interactions energy: -934.083
where: short stacking energy: -383.906
Base-Backbone interact. energy: -0.150
local terms energy: -392.369941
where:
bonds (distance) C4'-P energy: -65.455
bonds (distance) P-C4' energy: -74.896
flat angles C4'-P-C4' energy: -82.311
flat angles P-C4'-P energy: -60.827
tors. eta vs tors. theta energy: -108.882
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: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1255.997297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.997297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.997297 (E_RNA)
where:
Base-Base interactions energy: -902.873
where: short stacking energy: -384.608
Base-Backbone interact. energy: 0.268
local terms energy: -353.391946
where:
bonds (distance) C4'-P energy: -72.917
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -75.139
flat angles P-C4'-P energy: -44.034
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: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1187.641141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.641141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.641141 (E_RNA)
where:
Base-Base interactions energy: -811.135
where: short stacking energy: -354.270
Base-Backbone interact. energy: -3.608
local terms energy: -372.898898
where:
bonds (distance) C4'-P energy: -64.450
bonds (distance) P-C4' energy: -61.730
flat angles C4'-P-C4' energy: -78.902
flat angles P-C4'-P energy: -60.911
tors. eta vs tors. theta energy: -106.906
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: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1181.259099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.259099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.259099 (E_RNA)
where:
Base-Base interactions energy: -845.396
where: short stacking energy: -348.131
Base-Backbone interact. energy: 5.798
local terms energy: -341.661837
where:
bonds (distance) C4'-P energy: -58.592
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -79.223
flat angles P-C4'-P energy: -50.023
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: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1055.871833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.871833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.871833 (E_RNA)
where:
Base-Base interactions energy: -750.987
where: short stacking energy: -314.312
Base-Backbone interact. energy: -1.761
local terms energy: -303.124356
where:
bonds (distance) C4'-P energy: -62.392
bonds (distance) P-C4' energy: -62.334
flat angles C4'-P-C4' energy: -65.270
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -70.311
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: 284
Temperature: 1.250000
Total energy: -995.412040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.412040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.412040 (E_RNA)
where:
Base-Base interactions energy: -678.482
where: short stacking energy: -313.173
Base-Backbone interact. energy: -0.890
local terms energy: -316.040285
where:
bonds (distance) C4'-P energy: -59.883
bonds (distance) P-C4' energy: -58.014
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -46.499
tors. eta vs tors. theta energy: -84.305
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: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -873.725672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.725672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.725672 (E_RNA)
where:
Base-Base interactions energy: -586.223
where: short stacking energy: -257.753
Base-Backbone interact. energy: -1.482
local terms energy: -286.021119
where:
bonds (distance) C4'-P energy: -56.370
bonds (distance) P-C4' energy: -67.351
flat angles C4'-P-C4' energy: -69.549
flat angles P-C4'-P energy: -45.054
tors. eta vs tors. theta energy: -47.696
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: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -589.667128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.667128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.667128 (E_RNA)
where:
Base-Base interactions energy: -353.478
where: short stacking energy: -181.451
Base-Backbone interact. energy: -1.845
local terms energy: -234.344248
where:
bonds (distance) C4'-P energy: -59.506
bonds (distance) P-C4' energy: -57.078
flat angles C4'-P-C4' energy: -56.047
flat angles P-C4'-P energy: -33.326
tors. eta vs tors. theta energy: -28.386
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: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1471.247059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.247059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.247059 (E_RNA)
where:
Base-Base interactions energy: -1061.696
where: short stacking energy: -432.455
Base-Backbone interact. energy: -0.812
local terms energy: -408.738640
where:
bonds (distance) C4'-P energy: -74.069
bonds (distance) P-C4' energy: -70.871
flat angles C4'-P-C4' energy: -87.836
flat angles P-C4'-P energy: -60.553
tors. eta vs tors. theta energy: -115.410
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: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1348.616196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.616196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.616196 (E_RNA)
where:
Base-Base interactions energy: -958.962
where: short stacking energy: -410.589
Base-Backbone interact. energy: 2.834
local terms energy: -392.487286
where:
bonds (distance) C4'-P energy: -73.079
bonds (distance) P-C4' energy: -64.485
flat angles C4'-P-C4' energy: -84.065
flat angles P-C4'-P energy: -63.603
tors. eta vs tors. theta energy: -107.256
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: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1322.904799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.904799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.904799 (E_RNA)
where:
Base-Base interactions energy: -952.324
where: short stacking energy: -389.856
Base-Backbone interact. energy: -1.098
local terms energy: -369.482770
where:
bonds (distance) C4'-P energy: -74.190
bonds (distance) P-C4' energy: -69.363
flat angles C4'-P-C4' energy: -84.838
flat angles P-C4'-P energy: -45.732
tors. eta vs tors. theta energy: -95.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1242.255351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.255351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.255351 (E_RNA)
where:
Base-Base interactions energy: -887.663
where: short stacking energy: -381.142
Base-Backbone interact. energy: -0.523
local terms energy: -354.069508
where:
bonds (distance) C4'-P energy: -67.043
bonds (distance) P-C4' energy: -62.699
flat angles C4'-P-C4' energy: -76.824
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -100.930
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: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1178.861752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.861752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.861752 (E_RNA)
where:
Base-Base interactions energy: -818.129
where: short stacking energy: -349.300
Base-Backbone interact. energy: 2.072
local terms energy: -362.804119
where:
bonds (distance) C4'-P energy: -67.918
bonds (distance) P-C4' energy: -69.260
flat angles C4'-P-C4' energy: -80.632
flat angles P-C4'-P energy: -55.290
tors. eta vs tors. theta energy: -89.704
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: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1177.947194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.947194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.947194 (E_RNA)
where:
Base-Base interactions energy: -824.479
where: short stacking energy: -340.967
Base-Backbone interact. energy: 4.052
local terms energy: -357.519786
where:
bonds (distance) C4'-P energy: -66.879
bonds (distance) P-C4' energy: -68.588
flat angles C4'-P-C4' energy: -85.348
flat angles P-C4'-P energy: -49.061
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: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1024.154159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.154159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.154159 (E_RNA)
where:
Base-Base interactions energy: -707.518
where: short stacking energy: -298.988
Base-Backbone interact. energy: -2.187
local terms energy: -314.449291
where:
bonds (distance) C4'-P energy: -63.851
bonds (distance) P-C4' energy: -64.205
flat angles C4'-P-C4' energy: -65.135
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -75.258
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: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1006.413369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.413369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.413369 (E_RNA)
where:
Base-Base interactions energy: -693.279
where: short stacking energy: -308.862
Base-Backbone interact. energy: 1.937
local terms energy: -315.071393
where:
bonds (distance) C4'-P energy: -56.612
bonds (distance) P-C4' energy: -66.539
flat angles C4'-P-C4' energy: -71.910
flat angles P-C4'-P energy: -47.717
tors. eta vs tors. theta energy: -72.294
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: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -904.152875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.152875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.152875 (E_RNA)
where:
Base-Base interactions energy: -616.151
where: short stacking energy: -264.300
Base-Backbone interact. energy: 0.363
local terms energy: -288.364574
where:
bonds (distance) C4'-P energy: -57.296
bonds (distance) P-C4' energy: -63.152
flat angles C4'-P-C4' energy: -66.554
flat angles P-C4'-P energy: -34.483
tors. eta vs tors. theta energy: -66.880
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: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -552.249491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.249491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.249491 (E_RNA)
where:
Base-Base interactions energy: -330.221
where: short stacking energy: -167.610
Base-Backbone interact. energy: 2.733
local terms energy: -224.761530
where:
bonds (distance) C4'-P energy: -63.534
bonds (distance) P-C4' energy: -60.692
flat angles C4'-P-C4' energy: -59.448
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -14.529
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: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1495.341271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.341271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.341271 (E_RNA)
where:
Base-Base interactions energy: -1089.001
where: short stacking energy: -452.778
Base-Backbone interact. energy: -1.224
local terms energy: -405.116463
where:
bonds (distance) C4'-P energy: -68.552
bonds (distance) P-C4' energy: -69.434
flat angles C4'-P-C4' energy: -86.282
flat angles P-C4'-P energy: -59.260
tors. eta vs tors. theta energy: -121.589
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: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1371.512352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.512352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.512352 (E_RNA)
where:
Base-Base interactions energy: -969.998
where: short stacking energy: -397.696
Base-Backbone interact. energy: -1.565
local terms energy: -399.949064
where:
bonds (distance) C4'-P energy: -71.996
bonds (distance) P-C4' energy: -68.972
flat angles C4'-P-C4' energy: -84.205
flat angles P-C4'-P energy: -60.988
tors. eta vs tors. theta energy: -113.788
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: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1328.921806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.921806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.921806 (E_RNA)
where:
Base-Base interactions energy: -948.852
where: short stacking energy: -371.313
Base-Backbone interact. energy: 2.050
local terms energy: -382.120170
where:
bonds (distance) C4'-P energy: -80.607
bonds (distance) P-C4' energy: -76.412
flat angles C4'-P-C4' energy: -74.940
flat angles P-C4'-P energy: -53.158
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: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1239.325390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.325390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.325390 (E_RNA)
where:
Base-Base interactions energy: -869.705
where: short stacking energy: -370.061
Base-Backbone interact. energy: -0.959
local terms energy: -368.661663
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -64.833
flat angles C4'-P-C4' energy: -78.377
flat angles P-C4'-P energy: -58.633
tors. eta vs tors. theta energy: -102.696
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: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1179.585313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.585313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.585313 (E_RNA)
where:
Base-Base interactions energy: -827.347
where: short stacking energy: -342.945
Base-Backbone interact. energy: -1.555
local terms energy: -350.683681
where:
bonds (distance) C4'-P energy: -65.091
bonds (distance) P-C4' energy: -70.425
flat angles C4'-P-C4' energy: -75.592
flat angles P-C4'-P energy: -53.322
tors. eta vs tors. theta energy: -86.254
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: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1143.952259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.952259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.952259 (E_RNA)
where:
Base-Base interactions energy: -799.067
where: short stacking energy: -325.483
Base-Backbone interact. energy: 1.530
local terms energy: -346.415178
where:
bonds (distance) C4'-P energy: -56.723
bonds (distance) P-C4' energy: -63.867
flat angles C4'-P-C4' energy: -84.011
flat angles P-C4'-P energy: -49.316
tors. eta vs tors. theta energy: -92.498
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: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1008.566173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.566173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.566173 (E_RNA)
where:
Base-Base interactions energy: -695.143
where: short stacking energy: -309.773
Base-Backbone interact. energy: -0.773
local terms energy: -312.649872
where:
bonds (distance) C4'-P energy: -63.354
bonds (distance) P-C4' energy: -69.606
flat angles C4'-P-C4' energy: -62.421
flat angles P-C4'-P energy: -45.756
tors. eta vs tors. theta energy: -71.512
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: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1029.724496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.724496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.724496 (E_RNA)
where:
Base-Base interactions energy: -703.044
where: short stacking energy: -286.908
Base-Backbone interact. energy: 0.033
local terms energy: -326.713381
where:
bonds (distance) C4'-P energy: -67.831
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -63.682
flat angles P-C4'-P energy: -45.365
tors. eta vs tors. theta energy: -74.516
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: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -925.822848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.822848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.822848 (E_RNA)
where:
Base-Base interactions energy: -625.418
where: short stacking energy: -277.085
Base-Backbone interact. energy: -1.634
local terms energy: -298.770869
where:
bonds (distance) C4'-P energy: -57.920
bonds (distance) P-C4' energy: -61.455
flat angles C4'-P-C4' energy: -68.187
flat angles P-C4'-P energy: -41.208
tors. eta vs tors. theta energy: -70.001
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: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -542.471868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.471868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.471868 (E_RNA)
where:
Base-Base interactions energy: -322.820
where: short stacking energy: -157.446
Base-Backbone interact. energy: -0.866
local terms energy: -218.785281
where:
bonds (distance) C4'-P energy: -56.599
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -54.601
flat angles P-C4'-P energy: -18.847
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: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1479.472792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.472792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.472792 (E_RNA)
where:
Base-Base interactions energy: -1056.971
where: short stacking energy: -435.239
Base-Backbone interact. energy: -0.720
local terms energy: -421.781428
where:
bonds (distance) C4'-P energy: -72.522
bonds (distance) P-C4' energy: -75.382
flat angles C4'-P-C4' energy: -93.766
flat angles P-C4'-P energy: -63.227
tors. eta vs tors. theta energy: -116.884
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: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1338.393379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.393379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.393379 (E_RNA)
where:
Base-Base interactions energy: -964.937
where: short stacking energy: -398.521
Base-Backbone interact. energy: 0.679
local terms energy: -374.135374
where:
bonds (distance) C4'-P energy: -66.109
bonds (distance) P-C4' energy: -79.389
flat angles C4'-P-C4' energy: -85.961
flat angles P-C4'-P energy: -45.460
tors. eta vs tors. theta energy: -97.216
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: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1327.966818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.966818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.966818 (E_RNA)
where:
Base-Base interactions energy: -927.880
where: short stacking energy: -396.028
Base-Backbone interact. energy: -2.719
local terms energy: -397.367846
where:
bonds (distance) C4'-P energy: -73.729
bonds (distance) P-C4' energy: -70.432
flat angles C4'-P-C4' energy: -77.533
flat angles P-C4'-P energy: -57.552
tors. eta vs tors. theta energy: -118.122
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: 4, replica: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1267.397749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.397749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.397749 (E_RNA)
where:
Base-Base interactions energy: -899.907
where: short stacking energy: -374.506
Base-Backbone interact. energy: -0.843
local terms energy: -366.648627
where:
bonds (distance) C4'-P energy: -70.509
bonds (distance) P-C4' energy: -65.149
flat angles C4'-P-C4' energy: -80.617
flat angles P-C4'-P energy: -51.079
tors. eta vs tors. theta energy: -99.295
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: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1195.672736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.672736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.672736 (E_RNA)
where:
Base-Base interactions energy: -847.136
where: short stacking energy: -333.078
Base-Backbone interact. energy: -0.711
local terms energy: -347.825284
where:
bonds (distance) C4'-P energy: -62.965
bonds (distance) P-C4' energy: -63.464
flat angles C4'-P-C4' energy: -77.911
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -95.893
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: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1143.658184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.658184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.658184 (E_RNA)
where:
Base-Base interactions energy: -785.222
where: short stacking energy: -348.649
Base-Backbone interact. energy: 1.190
local terms energy: -359.626002
where:
bonds (distance) C4'-P energy: -61.132
bonds (distance) P-C4' energy: -71.368
flat angles C4'-P-C4' energy: -71.126
flat angles P-C4'-P energy: -54.674
tors. eta vs tors. theta energy: -101.326
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: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1055.624622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.624622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.624622 (E_RNA)
where:
Base-Base interactions energy: -731.370
where: short stacking energy: -329.736
Base-Backbone interact. energy: -0.681
local terms energy: -323.574113
where:
bonds (distance) C4'-P energy: -52.323
bonds (distance) P-C4' energy: -68.010
flat angles C4'-P-C4' energy: -70.820
flat angles P-C4'-P energy: -47.230
tors. eta vs tors. theta energy: -85.191
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: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1039.103565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.103565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.103565 (E_RNA)
where:
Base-Base interactions energy: -731.574
where: short stacking energy: -293.027
Base-Backbone interact. energy: 1.972
local terms energy: -309.501283
where:
bonds (distance) C4'-P energy: -54.459
bonds (distance) P-C4' energy: -67.202
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -47.375
tors. eta vs tors. theta energy: -65.694
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: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -848.802173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.802173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.802173 (E_RNA)
where:
Base-Base interactions energy: -563.617
where: short stacking energy: -237.204
Base-Backbone interact. energy: -1.362
local terms energy: -283.823745
where:
bonds (distance) C4'-P energy: -58.700
bonds (distance) P-C4' energy: -63.097
flat angles C4'-P-C4' energy: -66.423
flat angles P-C4'-P energy: -43.309
tors. eta vs tors. theta energy: -52.295
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: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -483.630194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.630194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.630194 (E_RNA)
where:
Base-Base interactions energy: -268.917
where: short stacking energy: -148.165
Base-Backbone interact. energy: 3.949
local terms energy: -218.662630
where:
bonds (distance) C4'-P energy: -53.972
bonds (distance) P-C4' energy: -58.477
flat angles C4'-P-C4' energy: -53.902
flat angles P-C4'-P energy: -37.558
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1500.624200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.624200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.624200 (E_RNA)
where:
Base-Base interactions energy: -1089.022
where: short stacking energy: -442.031
Base-Backbone interact. energy: -0.320
local terms energy: -411.282279
where:
bonds (distance) C4'-P energy: -72.669
bonds (distance) P-C4' energy: -70.548
flat angles C4'-P-C4' energy: -90.573
flat angles P-C4'-P energy: -51.366
tors. eta vs tors. theta energy: -126.125
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: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1330.674886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.674886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.674886 (E_RNA)
where:
Base-Base interactions energy: -952.113
where: short stacking energy: -380.234
Base-Backbone interact. energy: -0.879
local terms energy: -377.682420
where:
bonds (distance) C4'-P energy: -74.949
bonds (distance) P-C4' energy: -73.269
flat angles C4'-P-C4' energy: -73.813
flat angles P-C4'-P energy: -61.951
tors. eta vs tors. theta energy: -93.700
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: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1333.855923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.855923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.855923 (E_RNA)
where:
Base-Base interactions energy: -939.409
where: short stacking energy: -383.676
Base-Backbone interact. energy: -0.236
local terms energy: -394.211446
where:
bonds (distance) C4'-P energy: -72.527
bonds (distance) P-C4' energy: -75.644
flat angles C4'-P-C4' energy: -83.558
flat angles P-C4'-P energy: -58.783
tors. eta vs tors. theta energy: -103.699
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: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1235.134414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.134414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.134414 (E_RNA)
where:
Base-Base interactions energy: -870.902
where: short stacking energy: -353.937
Base-Backbone interact. energy: -0.306
local terms energy: -363.926228
where:
bonds (distance) C4'-P energy: -57.632
bonds (distance) P-C4' energy: -83.481
flat angles C4'-P-C4' energy: -86.364
flat angles P-C4'-P energy: -41.039
tors. eta vs tors. theta energy: -95.411
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: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1168.361711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.361711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.361711 (E_RNA)
where:
Base-Base interactions energy: -807.735
where: short stacking energy: -370.332
Base-Backbone interact. energy: 0.581
local terms energy: -361.208003
where:
bonds (distance) C4'-P energy: -63.579
bonds (distance) P-C4' energy: -66.356
flat angles C4'-P-C4' energy: -80.064
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: -102.130
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: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1175.339068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.339068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.339068 (E_RNA)
where:
Base-Base interactions energy: -834.346
where: short stacking energy: -334.838
Base-Backbone interact. energy: -1.166
local terms energy: -339.827039
where:
bonds (distance) C4'-P energy: -72.025
bonds (distance) P-C4' energy: -70.008
flat angles C4'-P-C4' energy: -68.840
flat angles P-C4'-P energy: -39.526
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: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1009.878675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.878675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.878675 (E_RNA)
where:
Base-Base interactions energy: -686.372
where: short stacking energy: -290.304
Base-Backbone interact. energy: -0.818
local terms energy: -322.689039
where:
bonds (distance) C4'-P energy: -65.860
bonds (distance) P-C4' energy: -68.684
flat angles C4'-P-C4' energy: -70.194
flat angles P-C4'-P energy: -45.833
tors. eta vs tors. theta energy: -72.119
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: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1012.529747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.529747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.529747 (E_RNA)
where:
Base-Base interactions energy: -721.398
where: short stacking energy: -271.752
Base-Backbone interact. energy: -1.021
local terms energy: -290.110842
where:
bonds (distance) C4'-P energy: -62.246
bonds (distance) P-C4' energy: -55.503
flat angles C4'-P-C4' energy: -68.247
flat angles P-C4'-P energy: -36.327
tors. eta vs tors. theta energy: -67.788
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: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -851.783316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.783316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.783316 (E_RNA)
where:
Base-Base interactions energy: -590.470
where: short stacking energy: -253.717
Base-Backbone interact. energy: 0.631
local terms energy: -261.943868
where:
bonds (distance) C4'-P energy: -58.185
bonds (distance) P-C4' energy: -45.862
flat angles C4'-P-C4' energy: -69.217
flat angles P-C4'-P energy: -36.730
tors. eta vs tors. theta energy: -51.950
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: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -516.823361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.823361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.823361 (E_RNA)
where:
Base-Base interactions energy: -302.077
where: short stacking energy: -143.250
Base-Backbone interact. energy: -2.567
local terms energy: -212.179172
where:
bonds (distance) C4'-P energy: -61.127
bonds (distance) P-C4' energy: -71.825
flat angles C4'-P-C4' energy: -58.688
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: 3.220
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: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1496.987377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.987377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.987377 (E_RNA)
where:
Base-Base interactions energy: -1077.441
where: short stacking energy: -442.247
Base-Backbone interact. energy: -1.713
local terms energy: -417.833152
where:
bonds (distance) C4'-P energy: -78.867
bonds (distance) P-C4' energy: -69.375
flat angles C4'-P-C4' energy: -89.037
flat angles P-C4'-P energy: -55.459
tors. eta vs tors. theta energy: -125.095
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: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1340.283095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.283095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.283095 (E_RNA)
where:
Base-Base interactions energy: -957.129
where: short stacking energy: -411.493
Base-Backbone interact. energy: -0.993
local terms energy: -382.161548
where:
bonds (distance) C4'-P energy: -76.385
bonds (distance) P-C4' energy: -67.440
flat angles C4'-P-C4' energy: -74.773
flat angles P-C4'-P energy: -53.536
tors. eta vs tors. theta energy: -110.028
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: 3, replica: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1304.530750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.530750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.530750 (E_RNA)
where:
Base-Base interactions energy: -954.666
where: short stacking energy: -374.431
Base-Backbone interact. energy: 0.970
local terms energy: -350.835054
where:
bonds (distance) C4'-P energy: -59.482
bonds (distance) P-C4' energy: -73.282
flat angles C4'-P-C4' energy: -76.588
flat angles P-C4'-P energy: -57.188
tors. eta vs tors. theta energy: -84.296
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: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1298.377280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.377280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.377280 (E_RNA)
where:
Base-Base interactions energy: -904.595
where: short stacking energy: -381.160
Base-Backbone interact. energy: -1.977
local terms energy: -391.805639
where:
bonds (distance) C4'-P energy: -67.556
bonds (distance) P-C4' energy: -69.480
flat angles C4'-P-C4' energy: -84.247
flat angles P-C4'-P energy: -62.246
tors. eta vs tors. theta energy: -108.276
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: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1183.137663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.137663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.137663 (E_RNA)
where:
Base-Base interactions energy: -821.171
where: short stacking energy: -378.380
Base-Backbone interact. energy: -2.356
local terms energy: -359.611411
where:
bonds (distance) C4'-P energy: -60.467
bonds (distance) P-C4' energy: -61.454
flat angles C4'-P-C4' energy: -77.170
flat angles P-C4'-P energy: -56.055
tors. eta vs tors. theta energy: -104.465
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: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1189.816734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.816734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.816734 (E_RNA)
where:
Base-Base interactions energy: -838.076
where: short stacking energy: -348.829
Base-Backbone interact. energy: -2.366
local terms energy: -349.374780
where:
bonds (distance) C4'-P energy: -48.523
bonds (distance) P-C4' energy: -69.455
flat angles C4'-P-C4' energy: -77.731
flat angles P-C4'-P energy: -52.873
tors. eta vs tors. theta energy: -100.794
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: 289
Temperature: 1.200000
Total energy: -1057.878557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.878557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.878557 (E_RNA)
where:
Base-Base interactions energy: -732.937
where: short stacking energy: -314.244
Base-Backbone interact. energy: 0.369
local terms energy: -325.310511
where:
bonds (distance) C4'-P energy: -73.001
bonds (distance) P-C4' energy: -61.350
flat angles C4'-P-C4' energy: -71.461
flat angles P-C4'-P energy: -46.726
tors. eta vs tors. theta energy: -72.773
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: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1023.919060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.919060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.919060 (E_RNA)
where:
Base-Base interactions energy: -731.019
where: short stacking energy: -296.535
Base-Backbone interact. energy: -2.882
local terms energy: -290.018369
where:
bonds (distance) C4'-P energy: -43.293
bonds (distance) P-C4' energy: -65.316
flat angles C4'-P-C4' energy: -73.060
flat angles P-C4'-P energy: -35.721
tors. eta vs tors. theta energy: -72.627
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: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -801.692805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.692805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.692805 (E_RNA)
where:
Base-Base interactions energy: -520.626
where: short stacking energy: -245.940
Base-Backbone interact. energy: 2.363
local terms energy: -283.428972
where:
bonds (distance) C4'-P energy: -73.481
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -60.196
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -51.726
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: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -517.913656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.913656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.913656 (E_RNA)
where:
Base-Base interactions energy: -317.242
where: short stacking energy: -148.520
Base-Backbone interact. energy: -0.441
local terms energy: -200.229971
where:
bonds (distance) C4'-P energy: -56.186
bonds (distance) P-C4' energy: -62.053
flat angles C4'-P-C4' energy: -51.472
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -9.211
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: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1499.074701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.074701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.074701 (E_RNA)
where:
Base-Base interactions energy: -1078.547
where: short stacking energy: -439.331
Base-Backbone interact. energy: -0.637
local terms energy: -419.891006
where:
bonds (distance) C4'-P energy: -72.148
bonds (distance) P-C4' energy: -71.006
flat angles C4'-P-C4' energy: -87.522
flat angles P-C4'-P energy: -66.709
tors. eta vs tors. theta energy: -122.505
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: 2, replica: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1343.250024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.250024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.250024 (E_RNA)
where:
Base-Base interactions energy: -939.990
where: short stacking energy: -382.547
Base-Backbone interact. energy: -1.673
local terms energy: -401.586698
where:
bonds (distance) C4'-P energy: -75.135
bonds (distance) P-C4' energy: -76.812
flat angles C4'-P-C4' energy: -89.074
flat angles P-C4'-P energy: -54.311
tors. eta vs tors. theta energy: -106.255
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: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1321.356395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.356395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.356395 (E_RNA)
where:
Base-Base interactions energy: -938.630
where: short stacking energy: -399.718
Base-Backbone interact. energy: -1.270
local terms energy: -381.455865
where:
bonds (distance) C4'-P energy: -70.904
bonds (distance) P-C4' energy: -70.513
flat angles C4'-P-C4' energy: -87.457
flat angles P-C4'-P energy: -48.042
tors. eta vs tors. theta energy: -104.540
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: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1310.940156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.940156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.940156 (E_RNA)
where:
Base-Base interactions energy: -951.395
where: short stacking energy: -391.306
Base-Backbone interact. energy: 4.317
local terms energy: -363.861918
where:
bonds (distance) C4'-P energy: -62.175
bonds (distance) P-C4' energy: -69.938
flat angles C4'-P-C4' energy: -81.390
flat angles P-C4'-P energy: -53.964
tors. eta vs tors. theta energy: -96.394
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: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1201.949044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.949044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.949044 (E_RNA)
where:
Base-Base interactions energy: -844.120
where: short stacking energy: -347.209
Base-Backbone interact. energy: -2.350
local terms energy: -355.479669
where:
bonds (distance) C4'-P energy: -62.672
bonds (distance) P-C4' energy: -71.958
flat angles C4'-P-C4' energy: -80.634
flat angles P-C4'-P energy: -45.689
tors. eta vs tors. theta energy: -94.527
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: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1141.266046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.266046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.266046 (E_RNA)
where:
Base-Base interactions energy: -791.458
where: short stacking energy: -351.694
Base-Backbone interact. energy: -1.561
local terms energy: -348.247965
where:
bonds (distance) C4'-P energy: -57.477
bonds (distance) P-C4' energy: -69.022
flat angles C4'-P-C4' energy: -74.515
flat angles P-C4'-P energy: -50.815
tors. eta vs tors. theta energy: -96.419
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: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1072.606471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.606471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.606471 (E_RNA)
where:
Base-Base interactions energy: -752.141
where: short stacking energy: -322.052
Base-Backbone interact. energy: -0.495
local terms energy: -319.970862
where:
bonds (distance) C4'-P energy: -54.906
bonds (distance) P-C4' energy: -61.075
flat angles C4'-P-C4' energy: -75.460
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: -85.925
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: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1014.686022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.686022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.686022 (E_RNA)
where:
Base-Base interactions energy: -710.935
where: short stacking energy: -299.979
Base-Backbone interact. energy: -1.094
local terms energy: -302.657450
where:
bonds (distance) C4'-P energy: -46.004
bonds (distance) P-C4' energy: -70.626
flat angles C4'-P-C4' energy: -68.592
flat angles P-C4'-P energy: -41.815
tors. eta vs tors. theta energy: -75.620
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: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -796.951332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.951332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.951332 (E_RNA)
where:
Base-Base interactions energy: -517.261
where: short stacking energy: -234.202
Base-Backbone interact. energy: -0.292
local terms energy: -279.397874
where:
bonds (distance) C4'-P energy: -59.703
bonds (distance) P-C4' energy: -71.522
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: -47.329
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: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -554.232945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.232945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.232945 (E_RNA)
where:
Base-Base interactions energy: -311.850
where: short stacking energy: -143.545
Base-Backbone interact. energy: -1.893
local terms energy: -240.490227
where:
bonds (distance) C4'-P energy: -69.525
bonds (distance) P-C4' energy: -71.472
flat angles C4'-P-C4' energy: -58.263
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: -19.003
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: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1476.841848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.841848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.841848 (E_RNA)
where:
Base-Base interactions energy: -1059.333
where: short stacking energy: -426.542
Base-Backbone interact. energy: -1.176
local terms energy: -416.332452
where:
bonds (distance) C4'-P energy: -74.231
bonds (distance) P-C4' energy: -80.180
flat angles C4'-P-C4' energy: -82.667
flat angles P-C4'-P energy: -55.833
tors. eta vs tors. theta energy: -123.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1341.935948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.935948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.935948 (E_RNA)
where:
Base-Base interactions energy: -952.429
where: short stacking energy: -393.809
Base-Backbone interact. energy: -2.805
local terms energy: -386.702006
where:
bonds (distance) C4'-P energy: -74.005
bonds (distance) P-C4' energy: -69.691
flat angles C4'-P-C4' energy: -83.212
flat angles P-C4'-P energy: -48.877
tors. eta vs tors. theta energy: -110.917
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: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1322.297695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.297695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.297695 (E_RNA)
where:
Base-Base interactions energy: -926.504
where: short stacking energy: -389.169
Base-Backbone interact. energy: -0.697
local terms energy: -395.096930
where:
bonds (distance) C4'-P energy: -69.770
bonds (distance) P-C4' energy: -81.338
flat angles C4'-P-C4' energy: -80.309
flat angles P-C4'-P energy: -52.092
tors. eta vs tors. theta energy: -111.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1244.170467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.170467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.170467 (E_RNA)
where:
Base-Base interactions energy: -888.385
where: short stacking energy: -350.699
Base-Backbone interact. energy: 2.722
local terms energy: -358.507540
where:
bonds (distance) C4'-P energy: -58.603
bonds (distance) P-C4' energy: -76.388
flat angles C4'-P-C4' energy: -86.590
flat angles P-C4'-P energy: -53.614
tors. eta vs tors. theta energy: -83.313
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: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1224.867597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.867597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.867597 (E_RNA)
where:
Base-Base interactions energy: -861.179
where: short stacking energy: -355.161
Base-Backbone interact. energy: -2.063
local terms energy: -361.625591
where:
bonds (distance) C4'-P energy: -63.317
bonds (distance) P-C4' energy: -73.638
flat angles C4'-P-C4' energy: -78.433
flat angles P-C4'-P energy: -46.985
tors. eta vs tors. theta energy: -99.253
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: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1136.898079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.898079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.898079 (E_RNA)
where:
Base-Base interactions energy: -772.709
where: short stacking energy: -349.674
Base-Backbone interact. energy: -2.965
local terms energy: -361.223962
where:
bonds (distance) C4'-P energy: -61.910
bonds (distance) P-C4' energy: -64.840
flat angles C4'-P-C4' energy: -85.593
flat angles P-C4'-P energy: -49.389
tors. eta vs tors. theta energy: -99.492
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: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1050.238284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.238284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.238284 (E_RNA)
where:
Base-Base interactions energy: -732.389
where: short stacking energy: -309.954
Base-Backbone interact. energy: -1.285
local terms energy: -316.564521
where:
bonds (distance) C4'-P energy: -55.417
bonds (distance) P-C4' energy: -67.468
flat angles C4'-P-C4' energy: -73.619
flat angles P-C4'-P energy: -43.050
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: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1029.232365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.232365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.232365 (E_RNA)
where:
Base-Base interactions energy: -725.058
where: short stacking energy: -306.722
Base-Backbone interact. energy: 0.072
local terms energy: -304.246515
where:
bonds (distance) C4'-P energy: -63.166
bonds (distance) P-C4' energy: -70.769
flat angles C4'-P-C4' energy: -63.702
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -77.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -745.456652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.456652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.456652 (E_RNA)
where:
Base-Base interactions energy: -478.254
where: short stacking energy: -222.509
Base-Backbone interact. energy: 0.273
local terms energy: -267.475752
where:
bonds (distance) C4'-P energy: -61.789
bonds (distance) P-C4' energy: -66.150
flat angles C4'-P-C4' energy: -60.852
flat angles P-C4'-P energy: -32.870
tors. eta vs tors. theta energy: -45.814
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: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -556.718406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.718406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.718406 (E_RNA)
where:
Base-Base interactions energy: -330.473
where: short stacking energy: -142.390
Base-Backbone interact. energy: 0.720
local terms energy: -226.965643
where:
bonds (distance) C4'-P energy: -53.134
bonds (distance) P-C4' energy: -69.839
flat angles C4'-P-C4' energy: -56.261
flat angles P-C4'-P energy: -41.375
tors. eta vs tors. theta energy: -6.357
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: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1490.006480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.006480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.006480 (E_RNA)
where:
Base-Base interactions energy: -1066.501
where: short stacking energy: -424.241
Base-Backbone interact. energy: -1.474
local terms energy: -422.032147
where:
bonds (distance) C4'-P energy: -79.531
bonds (distance) P-C4' energy: -75.535
flat angles C4'-P-C4' energy: -80.094
flat angles P-C4'-P energy: -59.599
tors. eta vs tors. theta energy: -127.273
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: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1336.157626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.157626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.157626 (E_RNA)
where:
Base-Base interactions energy: -950.791
where: short stacking energy: -408.471
Base-Backbone interact. energy: 1.805
local terms energy: -387.171975
where:
bonds (distance) C4'-P energy: -63.639
bonds (distance) P-C4' energy: -76.579
flat angles C4'-P-C4' energy: -85.263
flat angles P-C4'-P energy: -55.926
tors. eta vs tors. theta energy: -105.765
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: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1291.719237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.719237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.719237 (E_RNA)
where:
Base-Base interactions energy: -913.047
where: short stacking energy: -369.995
Base-Backbone interact. energy: -2.390
local terms energy: -376.282310
where:
bonds (distance) C4'-P energy: -70.359
bonds (distance) P-C4' energy: -68.862
flat angles C4'-P-C4' energy: -78.383
flat angles P-C4'-P energy: -51.750
tors. eta vs tors. theta energy: -106.929
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: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1286.080886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.080886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.080886 (E_RNA)
where:
Base-Base interactions energy: -908.315
where: short stacking energy: -377.237
Base-Backbone interact. energy: -0.887
local terms energy: -376.879400
where:
bonds (distance) C4'-P energy: -55.640
bonds (distance) P-C4' energy: -77.676
flat angles C4'-P-C4' energy: -88.100
flat angles P-C4'-P energy: -51.259
tors. eta vs tors. theta energy: -104.204
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: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1212.361565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.361565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.361565 (E_RNA)
where:
Base-Base interactions energy: -834.157
where: short stacking energy: -332.972
Base-Backbone interact. energy: -1.407
local terms energy: -376.798128
where:
bonds (distance) C4'-P energy: -68.067
bonds (distance) P-C4' energy: -74.172
flat angles C4'-P-C4' energy: -81.625
flat angles P-C4'-P energy: -59.829
tors. eta vs tors. theta energy: -93.106
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: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1154.785006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.785006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.785006 (E_RNA)
where:
Base-Base interactions energy: -780.722
where: short stacking energy: -349.986
Base-Backbone interact. energy: -0.844
local terms energy: -373.219620
where:
bonds (distance) C4'-P energy: -71.972
bonds (distance) P-C4' energy: -64.654
flat angles C4'-P-C4' energy: -72.076
flat angles P-C4'-P energy: -60.476
tors. eta vs tors. theta energy: -104.042
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: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1073.995549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.995549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.995549 (E_RNA)
where:
Base-Base interactions energy: -746.908
where: short stacking energy: -309.360
Base-Backbone interact. energy: 1.551
local terms energy: -328.637728
where:
bonds (distance) C4'-P energy: -58.782
bonds (distance) P-C4' energy: -63.130
flat angles C4'-P-C4' energy: -78.936
flat angles P-C4'-P energy: -47.195
tors. eta vs tors. theta energy: -80.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1003.517868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.517868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.517868 (E_RNA)
where:
Base-Base interactions energy: -709.490
where: short stacking energy: -286.806
Base-Backbone interact. energy: 0.711
local terms energy: -294.739415
where:
bonds (distance) C4'-P energy: -54.361
bonds (distance) P-C4' energy: -69.329
flat angles C4'-P-C4' energy: -70.476
flat angles P-C4'-P energy: -36.821
tors. eta vs tors. theta energy: -63.752
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: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -747.720818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.720818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.720818 (E_RNA)
where:
Base-Base interactions energy: -477.605
where: short stacking energy: -217.574
Base-Backbone interact. energy: -0.036
local terms energy: -270.080708
where:
bonds (distance) C4'-P energy: -60.065
bonds (distance) P-C4' energy: -70.339
flat angles C4'-P-C4' energy: -60.309
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -35.017
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: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -575.377438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.377438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.377438 (E_RNA)
where:
Base-Base interactions energy: -368.684
where: short stacking energy: -159.819
Base-Backbone interact. energy: 2.198
local terms energy: -208.891285
where:
bonds (distance) C4'-P energy: -52.792
bonds (distance) P-C4' energy: -45.926
flat angles C4'-P-C4' energy: -70.869
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -20.810
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: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1482.876219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.876219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.876219 (E_RNA)
where:
Base-Base interactions energy: -1063.555
where: short stacking energy: -427.577
Base-Backbone interact. energy: -0.879
local terms energy: -418.441574
where:
bonds (distance) C4'-P energy: -78.098
bonds (distance) P-C4' energy: -66.766
flat angles C4'-P-C4' energy: -96.561
flat angles P-C4'-P energy: -57.823
tors. eta vs tors. theta energy: -119.194
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: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1341.792211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.792211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.792211 (E_RNA)
where:
Base-Base interactions energy: -940.000
where: short stacking energy: -382.629
Base-Backbone interact. energy: -1.603
local terms energy: -400.189488
where:
bonds (distance) C4'-P energy: -79.378
bonds (distance) P-C4' energy: -65.163
flat angles C4'-P-C4' energy: -89.829
flat angles P-C4'-P energy: -56.173
tors. eta vs tors. theta energy: -109.647
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: 293
Temperature: 1.000000
Total energy: -1306.590414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.590414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.590414 (E_RNA)
where:
Base-Base interactions energy: -927.990
where: short stacking energy: -363.624
Base-Backbone interact. energy: 0.891
local terms energy: -379.490681
where:
bonds (distance) C4'-P energy: -74.490
bonds (distance) P-C4' energy: -75.027
flat angles C4'-P-C4' energy: -85.587
flat angles P-C4'-P energy: -53.570
tors. eta vs tors. theta energy: -90.817
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: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1248.874084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.874084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.874084 (E_RNA)
where:
Base-Base interactions energy: -881.821
where: short stacking energy: -361.419
Base-Backbone interact. energy: -2.110
local terms energy: -364.942379
where:
bonds (distance) C4'-P energy: -66.874
bonds (distance) P-C4' energy: -59.154
flat angles C4'-P-C4' energy: -81.378
flat angles P-C4'-P energy: -53.605
tors. eta vs tors. theta energy: -103.932
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: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1243.383694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.383694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.383694 (E_RNA)
where:
Base-Base interactions energy: -869.850
where: short stacking energy: -346.404
Base-Backbone interact. energy: -0.295
local terms energy: -373.238757
where:
bonds (distance) C4'-P energy: -61.472
bonds (distance) P-C4' energy: -80.847
flat angles C4'-P-C4' energy: -78.972
flat angles P-C4'-P energy: -51.606
tors. eta vs tors. theta energy: -100.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1133.315526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.315526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.315526 (E_RNA)
where:
Base-Base interactions energy: -796.024
where: short stacking energy: -360.545
Base-Backbone interact. energy: -1.402
local terms energy: -335.889142
where:
bonds (distance) C4'-P energy: -53.991
bonds (distance) P-C4' energy: -61.674
flat angles C4'-P-C4' energy: -74.263
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: -107.386
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: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1073.126922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.126922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.126922 (E_RNA)
where:
Base-Base interactions energy: -738.045
where: short stacking energy: -317.966
Base-Backbone interact. energy: -0.805
local terms energy: -334.276999
where:
bonds (distance) C4'-P energy: -69.165
bonds (distance) P-C4' energy: -67.396
flat angles C4'-P-C4' energy: -69.809
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: -88.981
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: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -941.273577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.273577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.273577 (E_RNA)
where:
Base-Base interactions energy: -655.554
where: short stacking energy: -274.596
Base-Backbone interact. energy: -2.272
local terms energy: -283.447697
where:
bonds (distance) C4'-P energy: -63.103
bonds (distance) P-C4' energy: -54.201
flat angles C4'-P-C4' energy: -63.794
flat angles P-C4'-P energy: -41.061
tors. eta vs tors. theta energy: -61.289
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: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -807.323370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.323370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.323370 (E_RNA)
where:
Base-Base interactions energy: -559.044
where: short stacking energy: -242.637
Base-Backbone interact. energy: -3.273
local terms energy: -245.005968
where:
bonds (distance) C4'-P energy: -47.788
bonds (distance) P-C4' energy: -56.356
flat angles C4'-P-C4' energy: -52.501
flat angles P-C4'-P energy: -20.656
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: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -581.782482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.782482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.782482 (E_RNA)
where:
Base-Base interactions energy: -376.759
where: short stacking energy: -170.167
Base-Backbone interact. energy: 0.401
local terms energy: -205.424211
where:
bonds (distance) C4'-P energy: -52.328
bonds (distance) P-C4' energy: -73.486
flat angles C4'-P-C4' energy: -45.283
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -23.911
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: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1473.621403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.621403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.621403 (E_RNA)
where:
Base-Base interactions energy: -1058.118
where: short stacking energy: -436.412
Base-Backbone interact. energy: 0.682
local terms energy: -416.185104
where:
bonds (distance) C4'-P energy: -76.071
bonds (distance) P-C4' energy: -80.327
flat angles C4'-P-C4' energy: -88.963
flat angles P-C4'-P energy: -54.203
tors. eta vs tors. theta energy: -116.622
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: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1345.615877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.615877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.615877 (E_RNA)
where:
Base-Base interactions energy: -960.496
where: short stacking energy: -395.284
Base-Backbone interact. energy: -1.714
local terms energy: -383.406001
where:
bonds (distance) C4'-P energy: -69.406
bonds (distance) P-C4' energy: -67.186
flat angles C4'-P-C4' energy: -79.412
flat angles P-C4'-P energy: -50.867
tors. eta vs tors. theta energy: -116.535
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: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1314.816349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.816349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.816349 (E_RNA)
where:
Base-Base interactions energy: -958.356
where: short stacking energy: -390.772
Base-Backbone interact. energy: -2.900
local terms energy: -353.560314
where:
bonds (distance) C4'-P energy: -63.547
bonds (distance) P-C4' energy: -55.314
flat angles C4'-P-C4' energy: -77.610
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: -99.828
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: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1257.596782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.596782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.596782 (E_RNA)
where:
Base-Base interactions energy: -883.068
where: short stacking energy: -371.530
Base-Backbone interact. energy: -0.623
local terms energy: -373.905317
where:
bonds (distance) C4'-P energy: -55.696
bonds (distance) P-C4' energy: -73.484
flat angles C4'-P-C4' energy: -77.358
flat angles P-C4'-P energy: -60.861
tors. eta vs tors. theta energy: -106.506
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: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1225.462210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.462210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.462210 (E_RNA)
where:
Base-Base interactions energy: -843.770
where: short stacking energy: -350.674
Base-Backbone interact. energy: -1.570
local terms energy: -380.121643
where:
bonds (distance) C4'-P energy: -70.009
bonds (distance) P-C4' energy: -73.175
flat angles C4'-P-C4' energy: -81.844
flat angles P-C4'-P energy: -58.273
tors. eta vs tors. theta energy: -96.821
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: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1128.478930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.478930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.478930 (E_RNA)
where:
Base-Base interactions energy: -760.989
where: short stacking energy: -328.953
Base-Backbone interact. energy: -1.212
local terms energy: -366.277536
where:
bonds (distance) C4'-P energy: -69.278
bonds (distance) P-C4' energy: -66.198
flat angles C4'-P-C4' energy: -81.222
flat angles P-C4'-P energy: -46.947
tors. eta vs tors. theta energy: -102.634
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: 294
Temperature: 1.200000
Total energy: -1072.295994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.295994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.295994 (E_RNA)
where:
Base-Base interactions energy: -733.934
where: short stacking energy: -318.528
Base-Backbone interact. energy: -0.397
local terms energy: -337.964679
where:
bonds (distance) C4'-P energy: -63.919
bonds (distance) P-C4' energy: -60.980
flat angles C4'-P-C4' energy: -76.724
flat angles P-C4'-P energy: -45.781
tors. eta vs tors. theta energy: -90.560
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: 294
Temperature: 1.250000
Total energy: -989.647818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.647818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.647818 (E_RNA)
where:
Base-Base interactions energy: -674.036
where: short stacking energy: -296.101
Base-Backbone interact. energy: -0.761
local terms energy: -314.850856
where:
bonds (distance) C4'-P energy: -66.118
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -70.052
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -75.180
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: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -864.697917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.697917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.697917 (E_RNA)
where:
Base-Base interactions energy: -578.671
where: short stacking energy: -254.468
Base-Backbone interact. energy: -3.023
local terms energy: -283.003807
where:
bonds (distance) C4'-P energy: -63.708
bonds (distance) P-C4' energy: -54.676
flat angles C4'-P-C4' energy: -60.801
flat angles P-C4'-P energy: -39.959
tors. eta vs tors. theta energy: -63.860
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: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -528.222659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.222659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.222659 (E_RNA)
where:
Base-Base interactions energy: -291.371
where: short stacking energy: -156.212
Base-Backbone interact. energy: -0.378
local terms energy: -236.473954
where:
bonds (distance) C4'-P energy: -52.195
bonds (distance) P-C4' energy: -63.290
flat angles C4'-P-C4' energy: -53.807
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: -27.130
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: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1485.814408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.814408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.814408 (E_RNA)
where:
Base-Base interactions energy: -1072.389
where: short stacking energy: -447.974
Base-Backbone interact. energy: -0.620
local terms energy: -412.805207
where:
bonds (distance) C4'-P energy: -84.147
bonds (distance) P-C4' energy: -64.976
flat angles C4'-P-C4' energy: -85.855
flat angles P-C4'-P energy: -56.566
tors. eta vs tors. theta energy: -121.261
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: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1331.927580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.927580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.927580 (E_RNA)
where:
Base-Base interactions energy: -936.983
where: short stacking energy: -395.845
Base-Backbone interact. energy: -0.006
local terms energy: -394.938481
where:
bonds (distance) C4'-P energy: -71.214
bonds (distance) P-C4' energy: -72.302
flat angles C4'-P-C4' energy: -82.690
flat angles P-C4'-P energy: -62.196
tors. eta vs tors. theta energy: -106.537
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: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1315.946614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.946614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.946614 (E_RNA)
where:
Base-Base interactions energy: -952.883
where: short stacking energy: -394.776
Base-Backbone interact. energy: -0.781
local terms energy: -362.283084
where:
bonds (distance) C4'-P energy: -64.927
bonds (distance) P-C4' energy: -72.009
flat angles C4'-P-C4' energy: -73.177
flat angles P-C4'-P energy: -50.410
tors. eta vs tors. theta energy: -101.760
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: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1249.013162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.013162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.013162 (E_RNA)
where:
Base-Base interactions energy: -895.684
where: short stacking energy: -374.306
Base-Backbone interact. energy: -0.546
local terms energy: -352.783512
where:
bonds (distance) C4'-P energy: -59.228
bonds (distance) P-C4' energy: -62.374
flat angles C4'-P-C4' energy: -72.571
flat angles P-C4'-P energy: -57.246
tors. eta vs tors. theta energy: -101.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1257.938877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.938877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.938877 (E_RNA)
where:
Base-Base interactions energy: -897.681
where: short stacking energy: -377.074
Base-Backbone interact. energy: -1.344
local terms energy: -358.914097
where:
bonds (distance) C4'-P energy: -65.124
bonds (distance) P-C4' energy: -63.679
flat angles C4'-P-C4' energy: -81.097
flat angles P-C4'-P energy: -44.072
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: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1145.829533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.829533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.829533 (E_RNA)
where:
Base-Base interactions energy: -799.987
where: short stacking energy: -356.588
Base-Backbone interact. energy: -0.661
local terms energy: -345.182235
where:
bonds (distance) C4'-P energy: -56.036
bonds (distance) P-C4' energy: -56.445
flat angles C4'-P-C4' energy: -77.457
flat angles P-C4'-P energy: -53.597
tors. eta vs tors. theta energy: -101.647
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: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1080.247303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.247303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.247303 (E_RNA)
where:
Base-Base interactions energy: -763.007
where: short stacking energy: -331.969
Base-Backbone interact. energy: 1.154
local terms energy: -318.393923
where:
bonds (distance) C4'-P energy: -47.628
bonds (distance) P-C4' energy: -72.907
flat angles C4'-P-C4' energy: -64.936
flat angles P-C4'-P energy: -53.850
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: 8, replica: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -995.791314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.791314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.791314 (E_RNA)
where:
Base-Base interactions energy: -673.960
where: short stacking energy: -292.273
Base-Backbone interact. energy: 0.889
local terms energy: -322.720186
where:
bonds (distance) C4'-P energy: -76.238
bonds (distance) P-C4' energy: -64.214
flat angles C4'-P-C4' energy: -65.582
flat angles P-C4'-P energy: -38.169
tors. eta vs tors. theta energy: -78.517
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: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -925.331697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.331697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.331697 (E_RNA)
where:
Base-Base interactions energy: -628.508
where: short stacking energy: -280.338
Base-Backbone interact. energy: -0.009
local terms energy: -296.814999
where:
bonds (distance) C4'-P energy: -58.198
bonds (distance) P-C4' energy: -65.157
flat angles C4'-P-C4' energy: -65.124
flat angles P-C4'-P energy: -35.471
tors. eta vs tors. theta energy: -72.865
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: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -573.542073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.542073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.542073 (E_RNA)
where:
Base-Base interactions energy: -364.957
where: short stacking energy: -181.550
Base-Backbone interact. energy: 0.651
local terms energy: -209.236033
where:
bonds (distance) C4'-P energy: -46.413
bonds (distance) P-C4' energy: -46.569
flat angles C4'-P-C4' energy: -56.702
flat angles P-C4'-P energy: -42.577
tors. eta vs tors. theta energy: -16.974
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: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1472.224415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.224415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.224415 (E_RNA)
where:
Base-Base interactions energy: -1069.751
where: short stacking energy: -433.098
Base-Backbone interact. energy: -0.413
local terms energy: -402.060589
where:
bonds (distance) C4'-P energy: -72.993
bonds (distance) P-C4' energy: -72.945
flat angles C4'-P-C4' energy: -88.122
flat angles P-C4'-P energy: -56.463
tors. eta vs tors. theta energy: -111.537
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: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1357.940171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.940171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.940171 (E_RNA)
where:
Base-Base interactions energy: -955.511
where: short stacking energy: -401.543
Base-Backbone interact. energy: -0.746
local terms energy: -401.683524
where:
bonds (distance) C4'-P energy: -72.178
bonds (distance) P-C4' energy: -79.201
flat angles C4'-P-C4' energy: -84.187
flat angles P-C4'-P energy: -54.990
tors. eta vs tors. theta energy: -111.127
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: 3, replica: 10
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1319.988187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.988187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.988187 (E_RNA)
where:
Base-Base interactions energy: -934.813
where: short stacking energy: -381.856
Base-Backbone interact. energy: -2.235
local terms energy: -382.940194
where:
bonds (distance) C4'-P energy: -68.507
bonds (distance) P-C4' energy: -75.597
flat angles C4'-P-C4' energy: -86.605
flat angles P-C4'-P energy: -52.368
tors. eta vs tors. theta energy: -99.864
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: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1256.194887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.194887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.194887 (E_RNA)
where:
Base-Base interactions energy: -876.884
where: short stacking energy: -347.136
Base-Backbone interact. energy: -3.079
local terms energy: -376.231765
where:
bonds (distance) C4'-P energy: -66.231
bonds (distance) P-C4' energy: -80.432
flat angles C4'-P-C4' energy: -75.909
flat angles P-C4'-P energy: -57.186
tors. eta vs tors. theta energy: -96.474
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: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1230.075922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.075922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.075922 (E_RNA)
where:
Base-Base interactions energy: -880.014
where: short stacking energy: -372.033
Base-Backbone interact. energy: -1.343
local terms energy: -348.719452
where:
bonds (distance) C4'-P energy: -62.103
bonds (distance) P-C4' energy: -62.419
flat angles C4'-P-C4' energy: -73.329
flat angles P-C4'-P energy: -40.312
tors. eta vs tors. theta energy: -110.556
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: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1161.031907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.031907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.031907 (E_RNA)
where:
Base-Base interactions energy: -813.394
where: short stacking energy: -368.607
Base-Backbone interact. energy: 0.299
local terms energy: -347.937030
where:
bonds (distance) C4'-P energy: -57.639
bonds (distance) P-C4' energy: -66.228
flat angles C4'-P-C4' energy: -69.886
flat angles P-C4'-P energy: -45.499
tors. eta vs tors. theta energy: -108.686
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: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1055.946841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.946841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.946841 (E_RNA)
where:
Base-Base interactions energy: -720.079
where: short stacking energy: -298.464
Base-Backbone interact. energy: -1.126
local terms energy: -334.741667
where:
bonds (distance) C4'-P energy: -65.672
bonds (distance) P-C4' energy: -65.754
flat angles C4'-P-C4' energy: -72.356
flat angles P-C4'-P energy: -55.126
tors. eta vs tors. theta energy: -75.834
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: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -950.787680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.787680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.787680 (E_RNA)
where:
Base-Base interactions energy: -641.198
where: short stacking energy: -273.064
Base-Backbone interact. energy: 1.290
local terms energy: -310.879376
where:
bonds (distance) C4'-P energy: -60.175
bonds (distance) P-C4' energy: -66.812
flat angles C4'-P-C4' energy: -76.124
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -65.076
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: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -901.047467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.047467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.047467 (E_RNA)
where:
Base-Base interactions energy: -617.046
where: short stacking energy: -271.190
Base-Backbone interact. energy: -0.767
local terms energy: -283.234636
where:
bonds (distance) C4'-P energy: -44.297
bonds (distance) P-C4' energy: -57.599
flat angles C4'-P-C4' energy: -80.092
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -71.797
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: 296
Temperature: 1.350000
Total energy: -527.362666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.362666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.362666 (E_RNA)
where:
Base-Base interactions energy: -310.809
where: short stacking energy: -160.932
Base-Backbone interact. energy: -0.522
local terms energy: -216.032061
where:
bonds (distance) C4'-P energy: -63.356
bonds (distance) P-C4' energy: -45.377
flat angles C4'-P-C4' energy: -43.783
flat angles P-C4'-P energy: -45.742
tors. eta vs tors. theta energy: -17.775
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: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1476.542316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.542316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.542316 (E_RNA)
where:
Base-Base interactions energy: -1054.231
where: short stacking energy: -428.839
Base-Backbone interact. energy: 1.305
local terms energy: -423.615747
where:
bonds (distance) C4'-P energy: -69.189
bonds (distance) P-C4' energy: -79.114
flat angles C4'-P-C4' energy: -87.536
flat angles P-C4'-P energy: -67.721
tors. eta vs tors. theta energy: -120.056
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: 297
Temperature: 0.950000
Total energy: -1350.579853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.579853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.579853 (E_RNA)
where:
Base-Base interactions energy: -961.541
where: short stacking energy: -398.984
Base-Backbone interact. energy: -0.804
local terms energy: -388.235634
where:
bonds (distance) C4'-P energy: -68.303
bonds (distance) P-C4' energy: -78.894
flat angles C4'-P-C4' energy: -75.614
flat angles P-C4'-P energy: -54.244
tors. eta vs tors. theta energy: -111.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1324.783334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.783334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.783334 (E_RNA)
where:
Base-Base interactions energy: -944.182
where: short stacking energy: -382.688
Base-Backbone interact. energy: -2.102
local terms energy: -378.499266
where:
bonds (distance) C4'-P energy: -67.397
bonds (distance) P-C4' energy: -67.880
flat angles C4'-P-C4' energy: -77.341
flat angles P-C4'-P energy: -61.243
tors. eta vs tors. theta energy: -104.638
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: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1289.891596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.891596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.891596 (E_RNA)
where:
Base-Base interactions energy: -930.210
where: short stacking energy: -384.639
Base-Backbone interact. energy: 0.246
local terms energy: -359.927805
where:
bonds (distance) C4'-P energy: -62.808
bonds (distance) P-C4' energy: -62.224
flat angles C4'-P-C4' energy: -80.002
flat angles P-C4'-P energy: -53.806
tors. eta vs tors. theta energy: -101.088
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: 297
Temperature: 1.100000
Total energy: -1221.458993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.458993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.458993 (E_RNA)
where:
Base-Base interactions energy: -858.364
where: short stacking energy: -348.893
Base-Backbone interact. energy: -1.413
local terms energy: -361.681714
where:
bonds (distance) C4'-P energy: -68.584
bonds (distance) P-C4' energy: -72.817
flat angles C4'-P-C4' energy: -77.084
flat angles P-C4'-P energy: -50.609
tors. eta vs tors. theta energy: -92.589
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: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1154.092257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.092257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.092257 (E_RNA)
where:
Base-Base interactions energy: -809.887
where: short stacking energy: -350.149
Base-Backbone interact. energy: -0.650
local terms energy: -343.555252
where:
bonds (distance) C4'-P energy: -55.530
bonds (distance) P-C4' energy: -60.691
flat angles C4'-P-C4' energy: -76.045
flat angles P-C4'-P energy: -45.478
tors. eta vs tors. theta energy: -105.811
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: 297
Temperature: 1.200000
Total energy: -1044.195944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.195944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.195944 (E_RNA)
where:
Base-Base interactions energy: -724.980
where: short stacking energy: -288.636
Base-Backbone interact. energy: 1.678
local terms energy: -320.893808
where:
bonds (distance) C4'-P energy: -59.112
bonds (distance) P-C4' energy: -71.441
flat angles C4'-P-C4' energy: -69.159
flat angles P-C4'-P energy: -54.699
tors. eta vs tors. theta energy: -66.482
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: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -966.301650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.301650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.301650 (E_RNA)
where:
Base-Base interactions energy: -636.818
where: short stacking energy: -279.152
Base-Backbone interact. energy: -1.429
local terms energy: -328.055064
where:
bonds (distance) C4'-P energy: -71.786
bonds (distance) P-C4' energy: -66.264
flat angles C4'-P-C4' energy: -68.403
flat angles P-C4'-P energy: -46.978
tors. eta vs tors. theta energy: -74.625
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: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -892.021655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.021655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.021655 (E_RNA)
where:
Base-Base interactions energy: -626.284
where: short stacking energy: -272.089
Base-Backbone interact. energy: 0.218
local terms energy: -265.955225
where:
bonds (distance) C4'-P energy: -62.559
bonds (distance) P-C4' energy: -53.274
flat angles C4'-P-C4' energy: -60.762
flat angles P-C4'-P energy: -30.685
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: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -539.135501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.135501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.135501 (E_RNA)
where:
Base-Base interactions energy: -320.956
where: short stacking energy: -156.887
Base-Backbone interact. energy: -0.133
local terms energy: -218.046063
where:
bonds (distance) C4'-P energy: -49.436
bonds (distance) P-C4' energy: -52.836
flat angles C4'-P-C4' energy: -56.754
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1463.953972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.953972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.953972 (E_RNA)
where:
Base-Base interactions energy: -1051.831
where: short stacking energy: -435.002
Base-Backbone interact. energy: -0.572
local terms energy: -411.550071
where:
bonds (distance) C4'-P energy: -85.597
bonds (distance) P-C4' energy: -72.792
flat angles C4'-P-C4' energy: -86.155
flat angles P-C4'-P energy: -48.061
tors. eta vs tors. theta energy: -118.945
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: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1333.189097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.189097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.189097 (E_RNA)
where:
Base-Base interactions energy: -945.323
where: short stacking energy: -390.327
Base-Backbone interact. energy: 1.090
local terms energy: -388.955998
where:
bonds (distance) C4'-P energy: -72.835
bonds (distance) P-C4' energy: -77.919
flat angles C4'-P-C4' energy: -80.071
flat angles P-C4'-P energy: -48.201
tors. eta vs tors. theta energy: -109.931
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: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1325.590253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.590253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.590253 (E_RNA)
where:
Base-Base interactions energy: -947.676
where: short stacking energy: -382.996
Base-Backbone interact. energy: -0.151
local terms energy: -377.763211
where:
bonds (distance) C4'-P energy: -71.270
bonds (distance) P-C4' energy: -72.489
flat angles C4'-P-C4' energy: -82.696
flat angles P-C4'-P energy: -54.704
tors. eta vs tors. theta energy: -96.604
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: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1292.375734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.375734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.375734 (E_RNA)
where:
Base-Base interactions energy: -890.188
where: short stacking energy: -368.695
Base-Backbone interact. energy: 0.254
local terms energy: -402.441944
where:
bonds (distance) C4'-P energy: -66.936
bonds (distance) P-C4' energy: -75.279
flat angles C4'-P-C4' energy: -89.024
flat angles P-C4'-P energy: -63.814
tors. eta vs tors. theta energy: -107.389
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: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1179.693084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.693084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.693084 (E_RNA)
where:
Base-Base interactions energy: -822.938
where: short stacking energy: -382.584
Base-Backbone interact. energy: -1.227
local terms energy: -355.528231
where:
bonds (distance) C4'-P energy: -58.204
bonds (distance) P-C4' energy: -62.806
flat angles C4'-P-C4' energy: -86.304
flat angles P-C4'-P energy: -37.033
tors. eta vs tors. theta energy: -111.181
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: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1209.204273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.204273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.204273 (E_RNA)
where:
Base-Base interactions energy: -863.766
where: short stacking energy: -336.628
Base-Backbone interact. energy: -1.492
local terms energy: -343.946292
where:
bonds (distance) C4'-P energy: -69.273
bonds (distance) P-C4' energy: -64.463
flat angles C4'-P-C4' energy: -69.029
flat angles P-C4'-P energy: -46.065
tors. eta vs tors. theta energy: -95.116
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: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1055.727522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.727522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.727522 (E_RNA)
where:
Base-Base interactions energy: -733.027
where: short stacking energy: -312.381
Base-Backbone interact. energy: -1.426
local terms energy: -321.275127
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -58.444
flat angles C4'-P-C4' energy: -62.646
flat angles P-C4'-P energy: -57.973
tors. eta vs tors. theta energy: -83.285
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: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -972.154254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.154254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.154254 (E_RNA)
where:
Base-Base interactions energy: -668.542
where: short stacking energy: -285.983
Base-Backbone interact. energy: -3.040
local terms energy: -300.572170
where:
bonds (distance) C4'-P energy: -62.165
bonds (distance) P-C4' energy: -65.140
flat angles C4'-P-C4' energy: -75.695
flat angles P-C4'-P energy: -27.895
tors. eta vs tors. theta energy: -69.676
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: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -918.503974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.503974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.503974 (E_RNA)
where:
Base-Base interactions energy: -637.571
where: short stacking energy: -269.247
Base-Backbone interact. energy: -1.468
local terms energy: -279.465020
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -57.537
flat angles C4'-P-C4' energy: -62.211
flat angles P-C4'-P energy: -41.883
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: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -527.149578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.149578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.149578 (E_RNA)
where:
Base-Base interactions energy: -317.757
where: short stacking energy: -153.867
Base-Backbone interact. energy: -1.281
local terms energy: -208.111341
where:
bonds (distance) C4'-P energy: -60.346
bonds (distance) P-C4' energy: -52.520
flat angles C4'-P-C4' energy: -54.277
flat angles P-C4'-P energy: -32.339
tors. eta vs tors. theta energy: -8.629
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: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1473.621039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.621039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.621039 (E_RNA)
where:
Base-Base interactions energy: -1047.958
where: short stacking energy: -418.684
Base-Backbone interact. energy: -1.351
local terms energy: -424.312052
where:
bonds (distance) C4'-P energy: -71.006
bonds (distance) P-C4' energy: -80.911
flat angles C4'-P-C4' energy: -90.682
flat angles P-C4'-P energy: -67.001
tors. eta vs tors. theta energy: -114.712
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: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1347.685362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.685362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.685362 (E_RNA)
where:
Base-Base interactions energy: -943.400
where: short stacking energy: -415.757
Base-Backbone interact. energy: -2.049
local terms energy: -402.236454
where:
bonds (distance) C4'-P energy: -69.288
bonds (distance) P-C4' energy: -78.113
flat angles C4'-P-C4' energy: -86.078
flat angles P-C4'-P energy: -61.742
tors. eta vs tors. theta energy: -107.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1322.024417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.024417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.024417 (E_RNA)
where:
Base-Base interactions energy: -943.703
where: short stacking energy: -382.236
Base-Backbone interact. energy: -3.065
local terms energy: -375.256806
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -76.585
flat angles C4'-P-C4' energy: -75.464
flat angles P-C4'-P energy: -53.660
tors. eta vs tors. theta energy: -98.001
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: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1293.043024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.043024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.043024 (E_RNA)
where:
Base-Base interactions energy: -911.371
where: short stacking energy: -392.504
Base-Backbone interact. energy: 0.530
local terms energy: -382.202745
where:
bonds (distance) C4'-P energy: -73.542
bonds (distance) P-C4' energy: -76.327
flat angles C4'-P-C4' energy: -69.554
flat angles P-C4'-P energy: -52.338
tors. eta vs tors. theta energy: -110.441
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: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1174.107489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.107489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.107489 (E_RNA)
where:
Base-Base interactions energy: -796.646
where: short stacking energy: -347.068
Base-Backbone interact. energy: -0.809
local terms energy: -376.652988
where:
bonds (distance) C4'-P energy: -67.462
bonds (distance) P-C4' energy: -80.801
flat angles C4'-P-C4' energy: -73.915
flat angles P-C4'-P energy: -53.793
tors. eta vs tors. theta energy: -100.681
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: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1192.449452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.449452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.449452 (E_RNA)
where:
Base-Base interactions energy: -847.362
where: short stacking energy: -336.764
Base-Backbone interact. energy: -0.910
local terms energy: -344.177218
where:
bonds (distance) C4'-P energy: -67.558
bonds (distance) P-C4' energy: -70.667
flat angles C4'-P-C4' energy: -76.654
flat angles P-C4'-P energy: -33.031
tors. eta vs tors. theta energy: -96.267
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: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1052.375309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.375309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.375309 (E_RNA)
where:
Base-Base interactions energy: -708.018
where: short stacking energy: -303.839
Base-Backbone interact. energy: -0.435
local terms energy: -343.921971
where:
bonds (distance) C4'-P energy: -69.518
bonds (distance) P-C4' energy: -65.202
flat angles C4'-P-C4' energy: -82.921
flat angles P-C4'-P energy: -51.367
tors. eta vs tors. theta energy: -74.914
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: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -923.698071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.698071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.698071 (E_RNA)
where:
Base-Base interactions energy: -660.384
where: short stacking energy: -261.673
Base-Backbone interact. energy: -2.661
local terms energy: -260.653154
where:
bonds (distance) C4'-P energy: -47.431
bonds (distance) P-C4' energy: -66.271
flat angles C4'-P-C4' energy: -61.151
flat angles P-C4'-P energy: -36.108
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: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -947.534607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.534607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.534607 (E_RNA)
where:
Base-Base interactions energy: -652.420
where: short stacking energy: -265.476
Base-Backbone interact. energy: -0.158
local terms energy: -294.957146
where:
bonds (distance) C4'-P energy: -61.310
bonds (distance) P-C4' energy: -68.128
flat angles C4'-P-C4' energy: -66.182
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -71.179
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: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -490.189359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.189359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.189359 (E_RNA)
where:
Base-Base interactions energy: -285.530
where: short stacking energy: -148.244
Base-Backbone interact. energy: -0.866
local terms energy: -203.793907
where:
bonds (distance) C4'-P energy: -49.682
bonds (distance) P-C4' energy: -61.990
flat angles C4'-P-C4' energy: -52.637
flat angles P-C4'-P energy: -40.699
tors. eta vs tors. theta energy: 1.214
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: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1477.351159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.351159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.351159 (E_RNA)
where:
Base-Base interactions energy: -1079.361
where: short stacking energy: -450.609
Base-Backbone interact. energy: -0.875
local terms energy: -397.115291
where:
bonds (distance) C4'-P energy: -53.775
bonds (distance) P-C4' energy: -68.106
flat angles C4'-P-C4' energy: -95.897
flat angles P-C4'-P energy: -59.185
tors. eta vs tors. theta energy: -120.152
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: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1338.998079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.998079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.998079 (E_RNA)
where:
Base-Base interactions energy: -944.903
where: short stacking energy: -402.070
Base-Backbone interact. energy: -0.756
local terms energy: -393.338724
where:
bonds (distance) C4'-P energy: -72.186
bonds (distance) P-C4' energy: -75.326
flat angles C4'-P-C4' energy: -85.296
flat angles P-C4'-P energy: -46.921
tors. eta vs tors. theta energy: -113.610
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: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1318.306496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.306496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.306496 (E_RNA)
where:
Base-Base interactions energy: -944.489
where: short stacking energy: -383.893
Base-Backbone interact. energy: -2.733
local terms energy: -371.083991
where:
bonds (distance) C4'-P energy: -68.465
bonds (distance) P-C4' energy: -71.765
flat angles C4'-P-C4' energy: -76.675
flat angles P-C4'-P energy: -56.235
tors. eta vs tors. theta energy: -97.943
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: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1263.181624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.181624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.181624 (E_RNA)
where:
Base-Base interactions energy: -891.038
where: short stacking energy: -373.728
Base-Backbone interact. energy: -0.641
local terms energy: -371.502961
where:
bonds (distance) C4'-P energy: -68.988
bonds (distance) P-C4' energy: -75.701
flat angles C4'-P-C4' energy: -73.408
flat angles P-C4'-P energy: -48.363
tors. eta vs tors. theta energy: -105.042
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: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1153.835351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.835351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.835351 (E_RNA)
where:
Base-Base interactions energy: -801.409
where: short stacking energy: -350.836
Base-Backbone interact. energy: -2.327
local terms energy: -350.099190
where:
bonds (distance) C4'-P energy: -66.454
bonds (distance) P-C4' energy: -69.971
flat angles C4'-P-C4' energy: -65.865
flat angles P-C4'-P energy: -53.904
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: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1190.550843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.550843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.550843 (E_RNA)
where:
Base-Base interactions energy: -847.082
where: short stacking energy: -354.235
Base-Backbone interact. energy: -0.948
local terms energy: -342.520650
where:
bonds (distance) C4'-P energy: -69.176
bonds (distance) P-C4' energy: -63.504
flat angles C4'-P-C4' energy: -73.870
flat angles P-C4'-P energy: -43.777
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: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1057.693897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.693897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.693897 (E_RNA)
where:
Base-Base interactions energy: -740.821
where: short stacking energy: -326.099
Base-Backbone interact. energy: 1.650
local terms energy: -318.522831
where:
bonds (distance) C4'-P energy: -55.146
bonds (distance) P-C4' energy: -65.300
flat angles C4'-P-C4' energy: -73.983
flat angles P-C4'-P energy: -40.945
tors. eta vs tors. theta energy: -83.149
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: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -907.126987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.126987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.126987 (E_RNA)
where:
Base-Base interactions energy: -636.987
where: short stacking energy: -278.492
Base-Backbone interact. energy: -2.738
local terms energy: -267.401556
where:
bonds (distance) C4'-P energy: -55.621
bonds (distance) P-C4' energy: -55.182
flat angles C4'-P-C4' energy: -65.381
flat angles P-C4'-P energy: -31.418
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: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -997.324392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.324392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.324392 (E_RNA)
where:
Base-Base interactions energy: -685.041
where: short stacking energy: -283.021
Base-Backbone interact. energy: 1.039
local terms energy: -313.321974
where:
bonds (distance) C4'-P energy: -51.537
bonds (distance) P-C4' energy: -63.635
flat angles C4'-P-C4' energy: -73.233
flat angles P-C4'-P energy: -47.524
tors. eta vs tors. theta energy: -77.393
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: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -477.753310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.753310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.753310 (E_RNA)
where:
Base-Base interactions energy: -264.641
where: short stacking energy: -130.680
Base-Backbone interact. energy: 1.625
local terms energy: -214.737248
where:
bonds (distance) C4'-P energy: -56.855
bonds (distance) P-C4' energy: -63.912
flat angles C4'-P-C4' energy: -43.886
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: -7.182
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: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1476.924427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.924427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.924427 (E_RNA)
where:
Base-Base interactions energy: -1051.443
where: short stacking energy: -431.037
Base-Backbone interact. energy: -1.563
local terms energy: -423.918544
where:
bonds (distance) C4'-P energy: -80.535
bonds (distance) P-C4' energy: -70.280
flat angles C4'-P-C4' energy: -88.344
flat angles P-C4'-P energy: -62.155
tors. eta vs tors. theta energy: -122.604
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: 2, replica: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1349.507083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.507083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.507083 (E_RNA)
where:
Base-Base interactions energy: -959.170
where: short stacking energy: -391.768
Base-Backbone interact. energy: -1.280
local terms energy: -389.056817
where:
bonds (distance) C4'-P energy: -60.861
bonds (distance) P-C4' energy: -80.680
flat angles C4'-P-C4' energy: -89.864
flat angles P-C4'-P energy: -60.375
tors. eta vs tors. theta energy: -97.276
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: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1328.329724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.329724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.329724 (E_RNA)
where:
Base-Base interactions energy: -936.948
where: short stacking energy: -390.267
Base-Backbone interact. energy: 0.446
local terms energy: -391.827784
where:
bonds (distance) C4'-P energy: -74.338
bonds (distance) P-C4' energy: -65.510
flat angles C4'-P-C4' energy: -81.537
flat angles P-C4'-P energy: -47.996
tors. eta vs tors. theta energy: -122.446
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: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1279.028312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.028312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.028312 (E_RNA)
where:
Base-Base interactions energy: -887.830
where: short stacking energy: -373.368
Base-Backbone interact. energy: -1.789
local terms energy: -389.409381
where:
bonds (distance) C4'-P energy: -69.831
bonds (distance) P-C4' energy: -72.367
flat angles C4'-P-C4' energy: -76.651
flat angles P-C4'-P energy: -58.685
tors. eta vs tors. theta energy: -111.876
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: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1183.637051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.637051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.637051 (E_RNA)
where:
Base-Base interactions energy: -802.159
where: short stacking energy: -369.659
Base-Backbone interact. energy: -1.593
local terms energy: -379.884758
where:
bonds (distance) C4'-P energy: -69.125
bonds (distance) P-C4' energy: -63.515
flat angles C4'-P-C4' energy: -84.317
flat angles P-C4'-P energy: -59.316
tors. eta vs tors. theta energy: -103.611
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: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1189.364297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.364297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.364297 (E_RNA)
where:
Base-Base interactions energy: -864.851
where: short stacking energy: -336.520
Base-Backbone interact. energy: -1.091
local terms energy: -323.422046
where:
bonds (distance) C4'-P energy: -64.169
bonds (distance) P-C4' energy: -65.471
flat angles C4'-P-C4' energy: -69.135
flat angles P-C4'-P energy: -30.892
tors. eta vs tors. theta energy: -93.755
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: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1053.289370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.289370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.289370 (E_RNA)
where:
Base-Base interactions energy: -706.327
where: short stacking energy: -301.441
Base-Backbone interact. energy: 2.028
local terms energy: -348.990091
where:
bonds (distance) C4'-P energy: -72.305
bonds (distance) P-C4' energy: -72.385
flat angles C4'-P-C4' energy: -70.128
flat angles P-C4'-P energy: -53.758
tors. eta vs tors. theta energy: -80.414
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: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -985.047771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.047771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.047771 (E_RNA)
where:
Base-Base interactions energy: -676.578
where: short stacking energy: -287.164
Base-Backbone interact. energy: 1.521
local terms energy: -309.990972
where:
bonds (distance) C4'-P energy: -57.612
bonds (distance) P-C4' energy: -68.567
flat angles C4'-P-C4' energy: -73.184
flat angles P-C4'-P energy: -43.667
tors. eta vs tors. theta energy: -66.961
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: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -867.882718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.882718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.882718 (E_RNA)
where:
Base-Base interactions energy: -576.259
where: short stacking energy: -250.053
Base-Backbone interact. energy: 0.668
local terms energy: -292.291439
where:
bonds (distance) C4'-P energy: -76.094
bonds (distance) P-C4' energy: -58.570
flat angles C4'-P-C4' energy: -56.099
flat angles P-C4'-P energy: -34.791
tors. eta vs tors. theta energy: -66.737
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: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -436.920107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.920107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.920107 (E_RNA)
where:
Base-Base interactions energy: -215.723
where: short stacking energy: -120.135
Base-Backbone interact. energy: -0.940
local terms energy: -220.257159
where:
bonds (distance) C4'-P energy: -50.187
bonds (distance) P-C4' energy: -72.461
flat angles C4'-P-C4' energy: -57.485
flat angles P-C4'-P energy: -33.130
tors. eta vs tors. theta energy: -6.995
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: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1482.844628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.844628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.844628 (E_RNA)
where:
Base-Base interactions energy: -1064.676
where: short stacking energy: -443.689
Base-Backbone interact. energy: -0.922
local terms energy: -417.246373
where:
bonds (distance) C4'-P energy: -77.027
bonds (distance) P-C4' energy: -71.876
flat angles C4'-P-C4' energy: -88.658
flat angles P-C4'-P energy: -56.458
tors. eta vs tors. theta energy: -123.227
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: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1364.278206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.278206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.278206 (E_RNA)
where:
Base-Base interactions energy: -977.919
where: short stacking energy: -391.413
Base-Backbone interact. energy: -3.272
local terms energy: -383.087962
where:
bonds (distance) C4'-P energy: -77.612
bonds (distance) P-C4' energy: -67.171
flat angles C4'-P-C4' energy: -89.211
flat angles P-C4'-P energy: -47.690
tors. eta vs tors. theta energy: -101.404
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: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1297.896699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.896699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.896699 (E_RNA)
where:
Base-Base interactions energy: -911.746
where: short stacking energy: -387.596
Base-Backbone interact. energy: -1.061
local terms energy: -385.089623
where:
bonds (distance) C4'-P energy: -71.047
bonds (distance) P-C4' energy: -68.282
flat angles C4'-P-C4' energy: -89.027
flat angles P-C4'-P energy: -50.081
tors. eta vs tors. theta energy: -106.653
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: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1287.582988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.582988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.582988 (E_RNA)
where:
Base-Base interactions energy: -902.430
where: short stacking energy: -393.841
Base-Backbone interact. energy: -0.578
local terms energy: -384.574615
where:
bonds (distance) C4'-P energy: -68.520
bonds (distance) P-C4' energy: -73.192
flat angles C4'-P-C4' energy: -80.435
flat angles P-C4'-P energy: -50.439
tors. eta vs tors. theta energy: -111.988
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: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1154.767893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.767893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.767893 (E_RNA)
where:
Base-Base interactions energy: -809.497
where: short stacking energy: -365.027
Base-Backbone interact. energy: -0.775
local terms energy: -344.496075
where:
bonds (distance) C4'-P energy: -63.312
bonds (distance) P-C4' energy: -66.307
flat angles C4'-P-C4' energy: -77.575
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: -95.570
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: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1183.672183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.672183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.672183 (E_RNA)
where:
Base-Base interactions energy: -859.481
where: short stacking energy: -349.448
Base-Backbone interact. energy: -0.041
local terms energy: -324.150113
where:
bonds (distance) C4'-P energy: -60.437
bonds (distance) P-C4' energy: -60.154
flat angles C4'-P-C4' energy: -77.654
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -89.243
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: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1063.734835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.734835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.734835 (E_RNA)
where:
Base-Base interactions energy: -753.669
where: short stacking energy: -315.465
Base-Backbone interact. energy: 0.283
local terms energy: -310.348925
where:
bonds (distance) C4'-P energy: -62.002
bonds (distance) P-C4' energy: -63.397
flat angles C4'-P-C4' energy: -65.987
flat angles P-C4'-P energy: -37.304
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: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1019.891950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.891950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.891950 (E_RNA)
where:
Base-Base interactions energy: -706.758
where: short stacking energy: -281.119
Base-Backbone interact. energy: -0.859
local terms energy: -312.274632
where:
bonds (distance) C4'-P energy: -41.472
bonds (distance) P-C4' energy: -62.960
flat angles C4'-P-C4' energy: -83.575
flat angles P-C4'-P energy: -46.265
tors. eta vs tors. theta energy: -78.004
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: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -836.805893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.805893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.805893 (E_RNA)
where:
Base-Base interactions energy: -555.072
where: short stacking energy: -240.370
Base-Backbone interact. energy: 0.630
local terms energy: -282.363684
where:
bonds (distance) C4'-P energy: -58.163
bonds (distance) P-C4' energy: -62.475
flat angles C4'-P-C4' energy: -74.414
flat angles P-C4'-P energy: -37.753
tors. eta vs tors. theta energy: -49.558
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: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -389.400891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.400891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.400891 (E_RNA)
where:
Base-Base interactions energy: -191.614
where: short stacking energy: -97.087
Base-Backbone interact. energy: 1.929
local terms energy: -199.715814
where:
bonds (distance) C4'-P energy: -65.283
bonds (distance) P-C4' energy: -70.222
flat angles C4'-P-C4' energy: -45.629
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: 5.074
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: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1469.253600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.253600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.253600 (E_RNA)
where:
Base-Base interactions energy: -1049.633
where: short stacking energy: -423.377
Base-Backbone interact. energy: -0.623
local terms energy: -418.997958
where:
bonds (distance) C4'-P energy: -81.510
bonds (distance) P-C4' energy: -72.064
flat angles C4'-P-C4' energy: -83.222
flat angles P-C4'-P energy: -57.963
tors. eta vs tors. theta energy: -124.239
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: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1349.802672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.802672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.802672 (E_RNA)
where:
Base-Base interactions energy: -954.206
where: short stacking energy: -386.972
Base-Backbone interact. energy: -2.319
local terms energy: -393.277458
where:
bonds (distance) C4'-P energy: -69.669
bonds (distance) P-C4' energy: -76.442
flat angles C4'-P-C4' energy: -87.934
flat angles P-C4'-P energy: -63.198
tors. eta vs tors. theta energy: -96.034
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: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1315.444288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.444288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.444288 (E_RNA)
where:
Base-Base interactions energy: -917.697
where: short stacking energy: -404.044
Base-Backbone interact. energy: 1.344
local terms energy: -399.091658
where:
bonds (distance) C4'-P energy: -76.987
bonds (distance) P-C4' energy: -74.438
flat angles C4'-P-C4' energy: -79.932
flat angles P-C4'-P energy: -49.249
tors. eta vs tors. theta energy: -118.485
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: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1278.986030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.986030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.986030 (E_RNA)
where:
Base-Base interactions energy: -904.459
where: short stacking energy: -380.842
Base-Backbone interact. energy: -1.558
local terms energy: -372.968939
where:
bonds (distance) C4'-P energy: -63.919
bonds (distance) P-C4' energy: -63.074
flat angles C4'-P-C4' energy: -79.897
flat angles P-C4'-P energy: -54.768
tors. eta vs tors. theta energy: -111.310
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: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1171.116626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.116626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.116626 (E_RNA)
where:
Base-Base interactions energy: -805.203
where: short stacking energy: -362.544
Base-Backbone interact. energy: -0.583
local terms energy: -365.329862
where:
bonds (distance) C4'-P energy: -61.583
bonds (distance) P-C4' energy: -83.016
flat angles C4'-P-C4' energy: -80.143
flat angles P-C4'-P energy: -43.738
tors. eta vs tors. theta energy: -96.850
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: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1196.903153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.903153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.903153 (E_RNA)
where:
Base-Base interactions energy: -841.916
where: short stacking energy: -360.568
Base-Backbone interact. energy: -0.545
local terms energy: -354.442493
where:
bonds (distance) C4'-P energy: -75.031
bonds (distance) P-C4' energy: -66.713
flat angles C4'-P-C4' energy: -78.537
flat angles P-C4'-P energy: -42.954
tors. eta vs tors. theta energy: -91.207
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: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1030.130839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.130839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.130839 (E_RNA)
where:
Base-Base interactions energy: -710.146
where: short stacking energy: -310.754
Base-Backbone interact. energy: -1.894
local terms energy: -318.091213
where:
bonds (distance) C4'-P energy: -61.609
bonds (distance) P-C4' energy: -65.894
flat angles C4'-P-C4' energy: -68.134
flat angles P-C4'-P energy: -49.243
tors. eta vs tors. theta energy: -73.212
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: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1049.050488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.050488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.050488 (E_RNA)
where:
Base-Base interactions energy: -731.481
where: short stacking energy: -302.978
Base-Backbone interact. energy: -0.675
local terms energy: -316.894456
where:
bonds (distance) C4'-P energy: -63.778
bonds (distance) P-C4' energy: -63.938
flat angles C4'-P-C4' energy: -56.775
flat angles P-C4'-P energy: -41.898
tors. eta vs tors. theta energy: -90.506
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: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -892.164450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.164450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.164450 (E_RNA)
where:
Base-Base interactions energy: -606.146
where: short stacking energy: -255.445
Base-Backbone interact. energy: 0.481
local terms energy: -286.499499
where:
bonds (distance) C4'-P energy: -62.509
bonds (distance) P-C4' energy: -66.148
flat angles C4'-P-C4' energy: -73.159
flat angles P-C4'-P energy: -36.312
tors. eta vs tors. theta energy: -48.372
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: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -500.003055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.003055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.003055 (E_RNA)
where:
Base-Base interactions energy: -281.102
where: short stacking energy: -148.891
Base-Backbone interact. energy: 3.249
local terms energy: -222.150782
where:
bonds (distance) C4'-P energy: -52.875
bonds (distance) P-C4' energy: -62.664
flat angles C4'-P-C4' energy: -49.831
flat angles P-C4'-P energy: -45.055
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: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1484.857649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.857649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.857649 (E_RNA)
where:
Base-Base interactions energy: -1067.807
where: short stacking energy: -445.181
Base-Backbone interact. energy: 0.168
local terms energy: -417.218376
where:
bonds (distance) C4'-P energy: -81.977
bonds (distance) P-C4' energy: -79.122
flat angles C4'-P-C4' energy: -83.614
flat angles P-C4'-P energy: -52.409
tors. eta vs tors. theta energy: -120.096
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: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1347.882191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.882191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.882191 (E_RNA)
where:
Base-Base interactions energy: -970.686
where: short stacking energy: -380.423
Base-Backbone interact. energy: -0.369
local terms energy: -376.828056
where:
bonds (distance) C4'-P energy: -71.801
bonds (distance) P-C4' energy: -67.818
flat angles C4'-P-C4' energy: -84.827
flat angles P-C4'-P energy: -52.296
tors. eta vs tors. theta energy: -100.086
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: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1327.987212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.987212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.987212 (E_RNA)
where:
Base-Base interactions energy: -944.037
where: short stacking energy: -369.279
Base-Backbone interact. energy: -2.364
local terms energy: -381.586645
where:
bonds (distance) C4'-P energy: -68.406
bonds (distance) P-C4' energy: -66.874
flat angles C4'-P-C4' energy: -80.973
flat angles P-C4'-P energy: -55.000
tors. eta vs tors. theta energy: -110.333
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: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1302.730432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.730432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.730432 (E_RNA)
where:
Base-Base interactions energy: -918.820
where: short stacking energy: -393.796
Base-Backbone interact. energy: -0.456
local terms energy: -383.454742
where:
bonds (distance) C4'-P energy: -76.708
bonds (distance) P-C4' energy: -59.417
flat angles C4'-P-C4' energy: -85.654
flat angles P-C4'-P energy: -53.736
tors. eta vs tors. theta energy: -107.940
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: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1158.801805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.801805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.801805 (E_RNA)
where:
Base-Base interactions energy: -791.305
where: short stacking energy: -339.198
Base-Backbone interact. energy: -1.036
local terms energy: -366.460868
where:
bonds (distance) C4'-P energy: -68.030
bonds (distance) P-C4' energy: -63.645
flat angles C4'-P-C4' energy: -82.588
flat angles P-C4'-P energy: -46.292
tors. eta vs tors. theta energy: -105.906
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: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1177.712483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.712483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.712483 (E_RNA)
where:
Base-Base interactions energy: -837.387
where: short stacking energy: -337.906
Base-Backbone interact. energy: 4.886
local terms energy: -345.211822
where:
bonds (distance) C4'-P energy: -62.849
bonds (distance) P-C4' energy: -56.721
flat angles C4'-P-C4' energy: -79.240
flat angles P-C4'-P energy: -61.489
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: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1047.967867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.967867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.967867 (E_RNA)
where:
Base-Base interactions energy: -704.020
where: short stacking energy: -304.072
Base-Backbone interact. energy: -0.738
local terms energy: -343.209843
where:
bonds (distance) C4'-P energy: -69.612
bonds (distance) P-C4' energy: -60.862
flat angles C4'-P-C4' energy: -84.566
flat angles P-C4'-P energy: -51.163
tors. eta vs tors. theta energy: -77.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1057.810533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.810533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.810533 (E_RNA)
where:
Base-Base interactions energy: -722.403
where: short stacking energy: -312.053
Base-Backbone interact. energy: 2.776
local terms energy: -338.183415
where:
bonds (distance) C4'-P energy: -67.556
bonds (distance) P-C4' energy: -71.556
flat angles C4'-P-C4' energy: -73.906
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -80.951
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: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -850.018372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.018372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.018372 (E_RNA)
where:
Base-Base interactions energy: -596.958
where: short stacking energy: -229.189
Base-Backbone interact. energy: -1.822
local terms energy: -251.238700
where:
bonds (distance) C4'-P energy: -60.605
bonds (distance) P-C4' energy: -53.534
flat angles C4'-P-C4' energy: -63.460
flat angles P-C4'-P energy: -34.604
tors. eta vs tors. theta energy: -39.036
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: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -509.375777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.375777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.375777 (E_RNA)
where:
Base-Base interactions energy: -273.423
where: short stacking energy: -131.156
Base-Backbone interact. energy: 3.769
local terms energy: -239.722135
where:
bonds (distance) C4'-P energy: -60.270
bonds (distance) P-C4' energy: -71.217
flat angles C4'-P-C4' energy: -55.921
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -14.291
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: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1486.306348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.306348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.306348 (E_RNA)
where:
Base-Base interactions energy: -1075.826
where: short stacking energy: -447.690
Base-Backbone interact. energy: -0.222
local terms energy: -410.258171
where:
bonds (distance) C4'-P energy: -78.659
bonds (distance) P-C4' energy: -69.675
flat angles C4'-P-C4' energy: -86.507
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: -123.156
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: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1316.542602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.542602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.542602 (E_RNA)
where:
Base-Base interactions energy: -942.622
where: short stacking energy: -404.969
Base-Backbone interact. energy: -0.622
local terms energy: -373.298607
where:
bonds (distance) C4'-P energy: -59.112
bonds (distance) P-C4' energy: -73.767
flat angles C4'-P-C4' energy: -78.016
flat angles P-C4'-P energy: -53.500
tors. eta vs tors. theta energy: -108.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1340.463996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.463996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.463996 (E_RNA)
where:
Base-Base interactions energy: -971.161
where: short stacking energy: -382.995
Base-Backbone interact. energy: -3.057
local terms energy: -366.246629
where:
bonds (distance) C4'-P energy: -56.253
bonds (distance) P-C4' energy: -61.556
flat angles C4'-P-C4' energy: -79.571
flat angles P-C4'-P energy: -66.804
tors. eta vs tors. theta energy: -102.063
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: 305
Temperature: 1.050000
Total energy: -1283.699324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.699324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.699324 (E_RNA)
where:
Base-Base interactions energy: -916.885
where: short stacking energy: -379.038
Base-Backbone interact. energy: 0.836
local terms energy: -367.650028
where:
bonds (distance) C4'-P energy: -67.347
bonds (distance) P-C4' energy: -75.119
flat angles C4'-P-C4' energy: -81.555
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -102.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1188.018648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.018648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.018648 (E_RNA)
where:
Base-Base interactions energy: -819.606
where: short stacking energy: -369.400
Base-Backbone interact. energy: -1.801
local terms energy: -366.612081
where:
bonds (distance) C4'-P energy: -71.806
bonds (distance) P-C4' energy: -59.533
flat angles C4'-P-C4' energy: -79.698
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: -107.854
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: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1196.906891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.906891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.906891 (E_RNA)
where:
Base-Base interactions energy: -832.803
where: short stacking energy: -340.258
Base-Backbone interact. energy: 0.422
local terms energy: -364.525929
where:
bonds (distance) C4'-P energy: -70.152
bonds (distance) P-C4' energy: -77.817
flat angles C4'-P-C4' energy: -75.325
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -93.758
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: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1025.828304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.828304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.828304 (E_RNA)
where:
Base-Base interactions energy: -710.449
where: short stacking energy: -302.972
Base-Backbone interact. energy: -0.450
local terms energy: -314.929304
where:
bonds (distance) C4'-P energy: -67.574
bonds (distance) P-C4' energy: -61.964
flat angles C4'-P-C4' energy: -71.085
flat angles P-C4'-P energy: -40.441
tors. eta vs tors. theta energy: -73.864
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: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1071.568675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.568675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.568675 (E_RNA)
where:
Base-Base interactions energy: -768.422
where: short stacking energy: -324.349
Base-Backbone interact. energy: -0.958
local terms energy: -302.189486
where:
bonds (distance) C4'-P energy: -59.484
bonds (distance) P-C4' energy: -65.213
flat angles C4'-P-C4' energy: -70.506
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -78.366
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: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -867.963859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.963859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.963859 (E_RNA)
where:
Base-Base interactions energy: -607.764
where: short stacking energy: -244.571
Base-Backbone interact. energy: -0.503
local terms energy: -259.696271
where:
bonds (distance) C4'-P energy: -47.348
bonds (distance) P-C4' energy: -62.275
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -42.973
tors. eta vs tors. theta energy: -49.013
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: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -497.713310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.713310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.713310 (E_RNA)
where:
Base-Base interactions energy: -262.040
where: short stacking energy: -138.955
Base-Backbone interact. energy: 0.124
local terms energy: -235.796426
where:
bonds (distance) C4'-P energy: -66.933
bonds (distance) P-C4' energy: -59.632
flat angles C4'-P-C4' energy: -60.135
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: -11.043
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: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1478.500822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.500822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.500822 (E_RNA)
where:
Base-Base interactions energy: -1061.355
where: short stacking energy: -432.174
Base-Backbone interact. energy: -1.331
local terms energy: -415.815072
where:
bonds (distance) C4'-P energy: -74.625
bonds (distance) P-C4' energy: -75.150
flat angles C4'-P-C4' energy: -91.533
flat angles P-C4'-P energy: -55.207
tors. eta vs tors. theta energy: -119.300
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: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1333.255699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.255699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.255699 (E_RNA)
where:
Base-Base interactions energy: -942.179
where: short stacking energy: -383.670
Base-Backbone interact. energy: -1.299
local terms energy: -389.777146
where:
bonds (distance) C4'-P energy: -62.593
bonds (distance) P-C4' energy: -81.110
flat angles C4'-P-C4' energy: -82.079
flat angles P-C4'-P energy: -59.369
tors. eta vs tors. theta energy: -104.626
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: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1342.818856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.818856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.818856 (E_RNA)
where:
Base-Base interactions energy: -954.721
where: short stacking energy: -379.203
Base-Backbone interact. energy: -2.779
local terms energy: -385.318951
where:
bonds (distance) C4'-P energy: -84.531
bonds (distance) P-C4' energy: -64.127
flat angles C4'-P-C4' energy: -83.251
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: -96.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1270.831720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.831720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.831720 (E_RNA)
where:
Base-Base interactions energy: -888.608
where: short stacking energy: -383.084
Base-Backbone interact. energy: 0.305
local terms energy: -382.528684
where:
bonds (distance) C4'-P energy: -66.089
bonds (distance) P-C4' energy: -65.647
flat angles C4'-P-C4' energy: -88.044
flat angles P-C4'-P energy: -50.535
tors. eta vs tors. theta energy: -112.213
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: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1219.288639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.288639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.288639 (E_RNA)
where:
Base-Base interactions energy: -865.424
where: short stacking energy: -359.745
Base-Backbone interact. energy: -0.320
local terms energy: -353.543754
where:
bonds (distance) C4'-P energy: -63.890
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -77.677
flat angles P-C4'-P energy: -52.359
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: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1153.227417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.227417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.227417 (E_RNA)
where:
Base-Base interactions energy: -781.394
where: short stacking energy: -355.953
Base-Backbone interact. energy: -1.112
local terms energy: -370.720936
where:
bonds (distance) C4'-P energy: -66.864
bonds (distance) P-C4' energy: -72.486
flat angles C4'-P-C4' energy: -74.111
flat angles P-C4'-P energy: -56.877
tors. eta vs tors. theta energy: -100.383
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: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1076.305564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.305564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.305564 (E_RNA)
where:
Base-Base interactions energy: -757.132
where: short stacking energy: -315.069
Base-Backbone interact. energy: -1.642
local terms energy: -317.531635
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -59.735
flat angles C4'-P-C4' energy: -72.221
flat angles P-C4'-P energy: -53.880
tors. eta vs tors. theta energy: -84.060
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: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1021.580519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.580519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.580519 (E_RNA)
where:
Base-Base interactions energy: -701.451
where: short stacking energy: -293.239
Base-Backbone interact. energy: 2.435
local terms energy: -322.564547
where:
bonds (distance) C4'-P energy: -70.373
bonds (distance) P-C4' energy: -62.839
flat angles C4'-P-C4' energy: -75.034
flat angles P-C4'-P energy: -47.330
tors. eta vs tors. theta energy: -66.989
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: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -924.254380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.254380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.254380 (E_RNA)
where:
Base-Base interactions energy: -634.058
where: short stacking energy: -265.236
Base-Backbone interact. energy: 1.157
local terms energy: -291.352781
where:
bonds (distance) C4'-P energy: -60.199
bonds (distance) P-C4' energy: -58.403
flat angles C4'-P-C4' energy: -70.535
flat angles P-C4'-P energy: -42.050
tors. eta vs tors. theta energy: -60.166
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: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -496.751960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.751960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.751960 (E_RNA)
where:
Base-Base interactions energy: -288.778
where: short stacking energy: -152.337
Base-Backbone interact. energy: 2.714
local terms energy: -210.688284
where:
bonds (distance) C4'-P energy: -53.337
bonds (distance) P-C4' energy: -62.976
flat angles C4'-P-C4' energy: -56.356
flat angles P-C4'-P energy: -33.816
tors. eta vs tors. theta energy: -4.203
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: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1482.546644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.546644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.546644 (E_RNA)
where:
Base-Base interactions energy: -1062.210
where: short stacking energy: -439.366
Base-Backbone interact. energy: -0.671
local terms energy: -419.665397
where:
bonds (distance) C4'-P energy: -82.861
bonds (distance) P-C4' energy: -77.395
flat angles C4'-P-C4' energy: -82.436
flat angles P-C4'-P energy: -57.506
tors. eta vs tors. theta energy: -119.467
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: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1336.778384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.778384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.778384 (E_RNA)
where:
Base-Base interactions energy: -940.919
where: short stacking energy: -389.004
Base-Backbone interact. energy: 0.394
local terms energy: -396.253545
where:
bonds (distance) C4'-P energy: -77.881
bonds (distance) P-C4' energy: -72.044
flat angles C4'-P-C4' energy: -77.726
flat angles P-C4'-P energy: -57.846
tors. eta vs tors. theta energy: -110.757
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: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1342.329244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.329244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.329244 (E_RNA)
where:
Base-Base interactions energy: -957.159
where: short stacking energy: -389.424
Base-Backbone interact. energy: -0.637
local terms energy: -384.533374
where:
bonds (distance) C4'-P energy: -79.600
bonds (distance) P-C4' energy: -74.601
flat angles C4'-P-C4' energy: -83.117
flat angles P-C4'-P energy: -51.346
tors. eta vs tors. theta energy: -95.869
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: 4, replica: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1236.951819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.951819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.951819 (E_RNA)
where:
Base-Base interactions energy: -869.770
where: short stacking energy: -372.785
Base-Backbone interact. energy: 1.178
local terms energy: -368.360186
where:
bonds (distance) C4'-P energy: -63.207
bonds (distance) P-C4' energy: -69.902
flat angles C4'-P-C4' energy: -79.063
flat angles P-C4'-P energy: -56.500
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: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1229.218524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.218524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.218524 (E_RNA)
where:
Base-Base interactions energy: -883.338
where: short stacking energy: -382.174
Base-Backbone interact. energy: -2.010
local terms energy: -343.870213
where:
bonds (distance) C4'-P energy: -63.701
bonds (distance) P-C4' energy: -70.921
flat angles C4'-P-C4' energy: -69.813
flat angles P-C4'-P energy: -35.891
tors. eta vs tors. theta energy: -103.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1127.355988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.355988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.355988 (E_RNA)
where:
Base-Base interactions energy: -786.796
where: short stacking energy: -355.062
Base-Backbone interact. energy: -0.910
local terms energy: -339.649346
where:
bonds (distance) C4'-P energy: -60.450
bonds (distance) P-C4' energy: -71.236
flat angles C4'-P-C4' energy: -70.014
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -94.336
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: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1081.844709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.844709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.844709 (E_RNA)
where:
Base-Base interactions energy: -734.220
where: short stacking energy: -333.945
Base-Backbone interact. energy: -0.735
local terms energy: -346.889959
where:
bonds (distance) C4'-P energy: -53.966
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -77.031
flat angles P-C4'-P energy: -53.406
tors. eta vs tors. theta energy: -93.919
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: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1038.939869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.939869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.939869 (E_RNA)
where:
Base-Base interactions energy: -734.471
where: short stacking energy: -305.435
Base-Backbone interact. energy: -1.004
local terms energy: -303.465598
where:
bonds (distance) C4'-P energy: -72.348
bonds (distance) P-C4' energy: -53.366
flat angles C4'-P-C4' energy: -68.999
flat angles P-C4'-P energy: -27.032
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: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -861.831258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.831258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.831258 (E_RNA)
where:
Base-Base interactions energy: -591.003
where: short stacking energy: -238.344
Base-Backbone interact. energy: -0.594
local terms energy: -270.233781
where:
bonds (distance) C4'-P energy: -61.474
bonds (distance) P-C4' energy: -55.549
flat angles C4'-P-C4' energy: -72.275
flat angles P-C4'-P energy: -27.129
tors. eta vs tors. theta energy: -53.807
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: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -533.362964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.362964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.362964 (E_RNA)
where:
Base-Base interactions energy: -333.561
where: short stacking energy: -149.340
Base-Backbone interact. energy: -1.097
local terms energy: -198.705495
where:
bonds (distance) C4'-P energy: -51.268
bonds (distance) P-C4' energy: -54.032
flat angles C4'-P-C4' energy: -42.555
flat angles P-C4'-P energy: -30.919
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1465.471682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.471682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.471682 (E_RNA)
where:
Base-Base interactions energy: -1057.866
where: short stacking energy: -423.309
Base-Backbone interact. energy: -2.401
local terms energy: -405.204891
where:
bonds (distance) C4'-P energy: -69.558
bonds (distance) P-C4' energy: -73.472
flat angles C4'-P-C4' energy: -84.054
flat angles P-C4'-P energy: -62.666
tors. eta vs tors. theta energy: -115.456
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: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1320.047034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.047034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.047034 (E_RNA)
where:
Base-Base interactions energy: -919.948
where: short stacking energy: -391.892
Base-Backbone interact. energy: -0.504
local terms energy: -399.595053
where:
bonds (distance) C4'-P energy: -63.614
bonds (distance) P-C4' energy: -79.626
flat angles C4'-P-C4' energy: -80.315
flat angles P-C4'-P energy: -67.543
tors. eta vs tors. theta energy: -108.496
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: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1348.083456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.083456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.083456 (E_RNA)
where:
Base-Base interactions energy: -967.239
where: short stacking energy: -379.948
Base-Backbone interact. energy: -1.020
local terms energy: -379.824996
where:
bonds (distance) C4'-P energy: -70.123
bonds (distance) P-C4' energy: -75.804
flat angles C4'-P-C4' energy: -77.812
flat angles P-C4'-P energy: -58.094
tors. eta vs tors. theta energy: -97.992
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: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1264.654226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.654226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.654226 (E_RNA)
where:
Base-Base interactions energy: -892.189
where: short stacking energy: -367.676
Base-Backbone interact. energy: -1.292
local terms energy: -371.172796
where:
bonds (distance) C4'-P energy: -63.982
bonds (distance) P-C4' energy: -77.405
flat angles C4'-P-C4' energy: -84.889
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -96.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1260.120770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.120770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.120770 (E_RNA)
where:
Base-Base interactions energy: -894.797
where: short stacking energy: -373.841
Base-Backbone interact. energy: -1.742
local terms energy: -363.581347
where:
bonds (distance) C4'-P energy: -62.552
bonds (distance) P-C4' energy: -80.137
flat angles C4'-P-C4' energy: -72.483
flat angles P-C4'-P energy: -54.610
tors. eta vs tors. theta energy: -93.799
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: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1130.524213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.524213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.524213 (E_RNA)
where:
Base-Base interactions energy: -779.650
where: short stacking energy: -363.426
Base-Backbone interact. energy: -1.326
local terms energy: -349.547887
where:
bonds (distance) C4'-P energy: -51.599
bonds (distance) P-C4' energy: -60.515
flat angles C4'-P-C4' energy: -84.178
flat angles P-C4'-P energy: -50.844
tors. eta vs tors. theta energy: -102.413
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: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1072.342727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.342727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.342727 (E_RNA)
where:
Base-Base interactions energy: -735.122
where: short stacking energy: -291.990
Base-Backbone interact. energy: -2.771
local terms energy: -334.449760
where:
bonds (distance) C4'-P energy: -65.156
bonds (distance) P-C4' energy: -80.272
flat angles C4'-P-C4' energy: -65.542
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -78.509
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: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1052.029435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.029435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.029435 (E_RNA)
where:
Base-Base interactions energy: -727.546
where: short stacking energy: -321.754
Base-Backbone interact. energy: -0.883
local terms energy: -323.600950
where:
bonds (distance) C4'-P energy: -65.098
bonds (distance) P-C4' energy: -59.212
flat angles C4'-P-C4' energy: -71.743
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -82.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -841.739120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.739120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.739120 (E_RNA)
where:
Base-Base interactions energy: -551.571
where: short stacking energy: -232.916
Base-Backbone interact. energy: -0.818
local terms energy: -289.349521
where:
bonds (distance) C4'-P energy: -58.858
bonds (distance) P-C4' energy: -68.141
flat angles C4'-P-C4' energy: -64.658
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -54.602
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: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -505.779757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.779757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.779757 (E_RNA)
where:
Base-Base interactions energy: -272.474
where: short stacking energy: -148.270
Base-Backbone interact. energy: 0.276
local terms energy: -233.581340
where:
bonds (distance) C4'-P energy: -58.849
bonds (distance) P-C4' energy: -65.877
flat angles C4'-P-C4' energy: -59.329
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -18.067
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: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1484.342176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.342176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.342176 (E_RNA)
where:
Base-Base interactions energy: -1059.203
where: short stacking energy: -428.476
Base-Backbone interact. energy: -0.636
local terms energy: -424.503882
where:
bonds (distance) C4'-P energy: -78.910
bonds (distance) P-C4' energy: -73.482
flat angles C4'-P-C4' energy: -88.030
flat angles P-C4'-P energy: -62.183
tors. eta vs tors. theta energy: -121.899
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: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1371.468322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.468322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.468322 (E_RNA)
where:
Base-Base interactions energy: -983.680
where: short stacking energy: -400.285
Base-Backbone interact. energy: -2.419
local terms energy: -385.368902
where:
bonds (distance) C4'-P energy: -71.333
bonds (distance) P-C4' energy: -71.646
flat angles C4'-P-C4' energy: -89.544
flat angles P-C4'-P energy: -52.295
tors. eta vs tors. theta energy: -100.551
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1311.492797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.492797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.492797 (E_RNA)
where:
Base-Base interactions energy: -928.425
where: short stacking energy: -382.809
Base-Backbone interact. energy: -0.723
local terms energy: -382.345419
where:
bonds (distance) C4'-P energy: -62.111
bonds (distance) P-C4' energy: -69.488
flat angles C4'-P-C4' energy: -84.748
flat angles P-C4'-P energy: -62.641
tors. eta vs tors. theta energy: -103.357
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: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1284.811886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.811886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.811886 (E_RNA)
where:
Base-Base interactions energy: -915.634
where: short stacking energy: -374.657
Base-Backbone interact. energy: 3.306
local terms energy: -372.484005
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -62.482
flat angles C4'-P-C4' energy: -80.723
flat angles P-C4'-P energy: -58.471
tors. eta vs tors. theta energy: -112.852
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: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1209.809839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.809839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.809839 (E_RNA)
where:
Base-Base interactions energy: -844.566
where: short stacking energy: -350.821
Base-Backbone interact. energy: 1.575
local terms energy: -366.819430
where:
bonds (distance) C4'-P energy: -63.710
bonds (distance) P-C4' energy: -74.151
flat angles C4'-P-C4' energy: -77.170
flat angles P-C4'-P energy: -52.529
tors. eta vs tors. theta energy: -99.259
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: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1120.211177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.211177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.211177 (E_RNA)
where:
Base-Base interactions energy: -774.843
where: short stacking energy: -338.499
Base-Backbone interact. energy: 0.321
local terms energy: -345.689443
where:
bonds (distance) C4'-P energy: -67.653
bonds (distance) P-C4' energy: -54.057
flat angles C4'-P-C4' energy: -74.206
flat angles P-C4'-P energy: -52.150
tors. eta vs tors. theta energy: -97.623
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: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1069.062680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.062680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.062680 (E_RNA)
where:
Base-Base interactions energy: -733.621
where: short stacking energy: -301.767
Base-Backbone interact. energy: -0.052
local terms energy: -335.389696
where:
bonds (distance) C4'-P energy: -68.210
bonds (distance) P-C4' energy: -67.640
flat angles C4'-P-C4' energy: -73.507
flat angles P-C4'-P energy: -41.968
tors. eta vs tors. theta energy: -84.064
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: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1015.954734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.954734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.954734 (E_RNA)
where:
Base-Base interactions energy: -699.978
where: short stacking energy: -313.362
Base-Backbone interact. energy: 0.805
local terms energy: -316.781677
where:
bonds (distance) C4'-P energy: -50.701
bonds (distance) P-C4' energy: -70.763
flat angles C4'-P-C4' energy: -77.505
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -71.812
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: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -822.073926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.073926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.073926 (E_RNA)
where:
Base-Base interactions energy: -543.707
where: short stacking energy: -249.618
Base-Backbone interact. energy: 0.021
local terms energy: -278.387704
where:
bonds (distance) C4'-P energy: -36.981
bonds (distance) P-C4' energy: -72.260
flat angles C4'-P-C4' energy: -71.194
flat angles P-C4'-P energy: -37.089
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: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -415.556245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.556245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.556245 (E_RNA)
where:
Base-Base interactions energy: -230.061
where: short stacking energy: -133.445
Base-Backbone interact. energy: 1.563
local terms energy: -187.058209
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -74.416
flat angles C4'-P-C4' energy: -44.833
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: 0.258
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: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1467.847951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.847951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.847951 (E_RNA)
where:
Base-Base interactions energy: -1046.905
where: short stacking energy: -433.798
Base-Backbone interact. energy: -1.002
local terms energy: -419.940740
where:
bonds (distance) C4'-P energy: -81.981
bonds (distance) P-C4' energy: -72.333
flat angles C4'-P-C4' energy: -85.187
flat angles P-C4'-P energy: -53.232
tors. eta vs tors. theta energy: -127.208
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: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1371.182372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.182372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.182372 (E_RNA)
where:
Base-Base interactions energy: -986.464
where: short stacking energy: -392.079
Base-Backbone interact. energy: -2.107
local terms energy: -382.610676
where:
bonds (distance) C4'-P energy: -71.826
bonds (distance) P-C4' energy: -79.313
flat angles C4'-P-C4' energy: -79.479
flat angles P-C4'-P energy: -44.835
tors. eta vs tors. theta energy: -107.157
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: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1290.552780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.552780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.552780 (E_RNA)
where:
Base-Base interactions energy: -906.123
where: short stacking energy: -377.293
Base-Backbone interact. energy: 0.908
local terms energy: -385.338045
where:
bonds (distance) C4'-P energy: -67.093
bonds (distance) P-C4' energy: -64.657
flat angles C4'-P-C4' energy: -80.117
flat angles P-C4'-P energy: -63.537
tors. eta vs tors. theta energy: -109.933
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: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1277.807990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.807990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.807990 (E_RNA)
where:
Base-Base interactions energy: -911.200
where: short stacking energy: -391.289
Base-Backbone interact. energy: -2.420
local terms energy: -364.187430
where:
bonds (distance) C4'-P energy: -62.096
bonds (distance) P-C4' energy: -56.047
flat angles C4'-P-C4' energy: -70.171
flat angles P-C4'-P energy: -61.958
tors. eta vs tors. theta energy: -113.916
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: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1210.876088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.876088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.876088 (E_RNA)
where:
Base-Base interactions energy: -860.674
where: short stacking energy: -359.206
Base-Backbone interact. energy: -1.917
local terms energy: -348.285318
where:
bonds (distance) C4'-P energy: -52.137
bonds (distance) P-C4' energy: -67.305
flat angles C4'-P-C4' energy: -82.599
flat angles P-C4'-P energy: -48.768
tors. eta vs tors. theta energy: -97.477
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: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1107.308821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.308821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.308821 (E_RNA)
where:
Base-Base interactions energy: -768.830
where: short stacking energy: -350.156
Base-Backbone interact. energy: -1.636
local terms energy: -336.843176
where:
bonds (distance) C4'-P energy: -58.775
bonds (distance) P-C4' energy: -49.899
flat angles C4'-P-C4' energy: -81.295
flat angles P-C4'-P energy: -56.511
tors. eta vs tors. theta energy: -90.363
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: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1070.105895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.105895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.105895 (E_RNA)
where:
Base-Base interactions energy: -742.136
where: short stacking energy: -318.456
Base-Backbone interact. energy: -0.606
local terms energy: -327.363165
where:
bonds (distance) C4'-P energy: -66.628
bonds (distance) P-C4' energy: -62.013
flat angles C4'-P-C4' energy: -75.016
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: -79.933
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: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1025.354413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.354413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.354413 (E_RNA)
where:
Base-Base interactions energy: -703.787
where: short stacking energy: -303.212
Base-Backbone interact. energy: -0.171
local terms energy: -321.396654
where:
bonds (distance) C4'-P energy: -62.926
bonds (distance) P-C4' energy: -71.298
flat angles C4'-P-C4' energy: -67.490
flat angles P-C4'-P energy: -33.464
tors. eta vs tors. theta energy: -86.218
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: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -803.911968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.911968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.911968 (E_RNA)
where:
Base-Base interactions energy: -539.064
where: short stacking energy: -221.290
Base-Backbone interact. energy: -2.062
local terms energy: -262.785670
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -68.978
flat angles C4'-P-C4' energy: -54.938
flat angles P-C4'-P energy: -42.990
tors. eta vs tors. theta energy: -45.599
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: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -401.346536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.346536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.346536 (E_RNA)
where:
Base-Base interactions energy: -180.679
where: short stacking energy: -104.326
Base-Backbone interact. energy: -2.646
local terms energy: -218.021746
where:
bonds (distance) C4'-P energy: -58.800
bonds (distance) P-C4' energy: -60.577
flat angles C4'-P-C4' energy: -67.054
flat angles P-C4'-P energy: -33.422
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: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1473.173482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.173482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.173482 (E_RNA)
where:
Base-Base interactions energy: -1046.951
where: short stacking energy: -428.856
Base-Backbone interact. energy: -0.892
local terms energy: -425.330287
where:
bonds (distance) C4'-P energy: -75.269
bonds (distance) P-C4' energy: -86.572
flat angles C4'-P-C4' energy: -79.436
flat angles P-C4'-P energy: -59.558
tors. eta vs tors. theta energy: -124.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1374.584639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.584639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.584639 (E_RNA)
where:
Base-Base interactions energy: -1015.363
where: short stacking energy: -402.298
Base-Backbone interact. energy: -2.287
local terms energy: -356.934999
where:
bonds (distance) C4'-P energy: -57.527
bonds (distance) P-C4' energy: -66.600
flat angles C4'-P-C4' energy: -86.211
flat angles P-C4'-P energy: -43.979
tors. eta vs tors. theta energy: -102.618
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: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1299.568492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.568492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.568492 (E_RNA)
where:
Base-Base interactions energy: -915.380
where: short stacking energy: -378.054
Base-Backbone interact. energy: -0.787
local terms energy: -383.402229
where:
bonds (distance) C4'-P energy: -60.756
bonds (distance) P-C4' energy: -82.297
flat angles C4'-P-C4' energy: -78.420
flat angles P-C4'-P energy: -54.070
tors. eta vs tors. theta energy: -107.859
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: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1277.969373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.969373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.969373 (E_RNA)
where:
Base-Base interactions energy: -909.065
where: short stacking energy: -392.093
Base-Backbone interact. energy: 1.173
local terms energy: -370.076934
where:
bonds (distance) C4'-P energy: -62.442
bonds (distance) P-C4' energy: -73.252
flat angles C4'-P-C4' energy: -79.101
flat angles P-C4'-P energy: -53.803
tors. eta vs tors. theta energy: -101.479
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: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1227.292935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.292935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.292935 (E_RNA)
where:
Base-Base interactions energy: -865.906
where: short stacking energy: -342.686
Base-Backbone interact. energy: -4.180
local terms energy: -357.206833
where:
bonds (distance) C4'-P energy: -61.719
bonds (distance) P-C4' energy: -75.832
flat angles C4'-P-C4' energy: -71.540
flat angles P-C4'-P energy: -51.160
tors. eta vs tors. theta energy: -96.956
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: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1130.980946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.980946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.980946 (E_RNA)
where:
Base-Base interactions energy: -792.627
where: short stacking energy: -357.579
Base-Backbone interact. energy: 0.761
local terms energy: -339.114953
where:
bonds (distance) C4'-P energy: -51.006
bonds (distance) P-C4' energy: -75.364
flat angles C4'-P-C4' energy: -77.785
flat angles P-C4'-P energy: -38.401
tors. eta vs tors. theta energy: -96.559
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: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1107.287557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.287557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.287557 (E_RNA)
where:
Base-Base interactions energy: -770.706
where: short stacking energy: -330.278
Base-Backbone interact. energy: -0.489
local terms energy: -336.092908
where:
bonds (distance) C4'-P energy: -51.702
bonds (distance) P-C4' energy: -60.981
flat angles C4'-P-C4' energy: -73.480
flat angles P-C4'-P energy: -56.919
tors. eta vs tors. theta energy: -93.011
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: 311
Temperature: 1.250000
Total energy: -1000.422785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.422785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.422785 (E_RNA)
where:
Base-Base interactions energy: -683.768
where: short stacking energy: -272.731
Base-Backbone interact. energy: -1.647
local terms energy: -315.008672
where:
bonds (distance) C4'-P energy: -62.842
bonds (distance) P-C4' energy: -69.834
flat angles C4'-P-C4' energy: -64.462
flat angles P-C4'-P energy: -45.230
tors. eta vs tors. theta energy: -72.640
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: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -832.131302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.131302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.131302 (E_RNA)
where:
Base-Base interactions energy: -577.676
where: short stacking energy: -243.444
Base-Backbone interact. energy: 0.112
local terms energy: -254.567178
where:
bonds (distance) C4'-P energy: -59.204
bonds (distance) P-C4' energy: -47.987
flat angles C4'-P-C4' energy: -62.620
flat angles P-C4'-P energy: -29.447
tors. eta vs tors. theta energy: -55.309
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: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -428.113781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.113781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.113781 (E_RNA)
where:
Base-Base interactions energy: -208.218
where: short stacking energy: -126.652
Base-Backbone interact. energy: -0.873
local terms energy: -219.023248
where:
bonds (distance) C4'-P energy: -69.445
bonds (distance) P-C4' energy: -63.828
flat angles C4'-P-C4' energy: -50.602
flat angles P-C4'-P energy: -27.168
tors. eta vs tors. theta energy: -7.980
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: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1485.729683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.729683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.729683 (E_RNA)
where:
Base-Base interactions energy: -1083.887
where: short stacking energy: -441.900
Base-Backbone interact. energy: -0.589
local terms energy: -401.253862
where:
bonds (distance) C4'-P energy: -63.686
bonds (distance) P-C4' energy: -72.428
flat angles C4'-P-C4' energy: -86.261
flat angles P-C4'-P energy: -60.338
tors. eta vs tors. theta energy: -118.541
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: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1364.893809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.893809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.893809 (E_RNA)
where:
Base-Base interactions energy: -984.885
where: short stacking energy: -392.110
Base-Backbone interact. energy: -2.076
local terms energy: -377.933452
where:
bonds (distance) C4'-P energy: -71.250
bonds (distance) P-C4' energy: -74.742
flat angles C4'-P-C4' energy: -73.949
flat angles P-C4'-P energy: -57.386
tors. eta vs tors. theta energy: -100.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1290.549261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.549261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.549261 (E_RNA)
where:
Base-Base interactions energy: -919.703
where: short stacking energy: -388.465
Base-Backbone interact. energy: -1.663
local terms energy: -369.183519
where:
bonds (distance) C4'-P energy: -77.069
bonds (distance) P-C4' energy: -60.555
flat angles C4'-P-C4' energy: -76.390
flat angles P-C4'-P energy: -45.692
tors. eta vs tors. theta energy: -109.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1269.971562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.971562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.971562 (E_RNA)
where:
Base-Base interactions energy: -909.399
where: short stacking energy: -405.960
Base-Backbone interact. energy: 0.089
local terms energy: -360.661320
where:
bonds (distance) C4'-P energy: -53.034
bonds (distance) P-C4' energy: -56.979
flat angles C4'-P-C4' energy: -87.687
flat angles P-C4'-P energy: -53.952
tors. eta vs tors. theta energy: -109.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1208.784020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.784020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.784020 (E_RNA)
where:
Base-Base interactions energy: -856.661
where: short stacking energy: -369.049
Base-Backbone interact. energy: -0.055
local terms energy: -352.068041
where:
bonds (distance) C4'-P energy: -61.431
bonds (distance) P-C4' energy: -67.182
flat angles C4'-P-C4' energy: -75.170
flat angles P-C4'-P energy: -46.275
tors. eta vs tors. theta energy: -102.010
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: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1101.114448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.114448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.114448 (E_RNA)
where:
Base-Base interactions energy: -782.223
where: short stacking energy: -342.748
Base-Backbone interact. energy: 3.687
local terms energy: -322.579360
where:
bonds (distance) C4'-P energy: -58.406
bonds (distance) P-C4' energy: -56.705
flat angles C4'-P-C4' energy: -72.301
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -88.786
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: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1111.189964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.189964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.189964 (E_RNA)
where:
Base-Base interactions energy: -787.313
where: short stacking energy: -318.698
Base-Backbone interact. energy: -0.074
local terms energy: -323.802862
where:
bonds (distance) C4'-P energy: -60.131
bonds (distance) P-C4' energy: -64.282
flat angles C4'-P-C4' energy: -68.298
flat angles P-C4'-P energy: -51.368
tors. eta vs tors. theta energy: -79.724
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: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -991.417886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.417886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.417886 (E_RNA)
where:
Base-Base interactions energy: -692.715
where: short stacking energy: -305.087
Base-Backbone interact. energy: -2.270
local terms energy: -296.433207
where:
bonds (distance) C4'-P energy: -45.737
bonds (distance) P-C4' energy: -63.785
flat angles C4'-P-C4' energy: -65.022
flat angles P-C4'-P energy: -46.168
tors. eta vs tors. theta energy: -75.722
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: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -801.410655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.410655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.410655 (E_RNA)
where:
Base-Base interactions energy: -519.161
where: short stacking energy: -221.041
Base-Backbone interact. energy: -0.019
local terms energy: -282.230072
where:
bonds (distance) C4'-P energy: -59.540
bonds (distance) P-C4' energy: -69.128
flat angles C4'-P-C4' energy: -68.415
flat angles P-C4'-P energy: -30.846
tors. eta vs tors. theta energy: -54.301
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: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -412.636118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.636118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.636118 (E_RNA)
where:
Base-Base interactions energy: -207.713
where: short stacking energy: -136.522
Base-Backbone interact. energy: 0.084
local terms energy: -205.006465
where:
bonds (distance) C4'-P energy: -52.837
bonds (distance) P-C4' energy: -58.909
flat angles C4'-P-C4' energy: -58.220
flat angles P-C4'-P energy: -32.762
tors. eta vs tors. theta energy: -2.279
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: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1476.577909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.577909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.577909 (E_RNA)
where:
Base-Base interactions energy: -1070.754
where: short stacking energy: -431.635
Base-Backbone interact. energy: -0.651
local terms energy: -405.173008
where:
bonds (distance) C4'-P energy: -76.762
bonds (distance) P-C4' energy: -65.811
flat angles C4'-P-C4' energy: -80.828
flat angles P-C4'-P energy: -55.888
tors. eta vs tors. theta energy: -125.883
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: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1372.996825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.996825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.996825 (E_RNA)
where:
Base-Base interactions energy: -980.982
where: short stacking energy: -398.220
Base-Backbone interact. energy: -1.965
local terms energy: -390.049824
where:
bonds (distance) C4'-P energy: -73.654
bonds (distance) P-C4' energy: -70.135
flat angles C4'-P-C4' energy: -89.201
flat angles P-C4'-P energy: -59.417
tors. eta vs tors. theta energy: -97.643
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: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1320.156622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.156622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.156622 (E_RNA)
where:
Base-Base interactions energy: -927.685
where: short stacking energy: -389.088
Base-Backbone interact. energy: -1.773
local terms energy: -390.698904
where:
bonds (distance) C4'-P energy: -67.966
bonds (distance) P-C4' energy: -76.200
flat angles C4'-P-C4' energy: -83.910
flat angles P-C4'-P energy: -52.330
tors. eta vs tors. theta energy: -110.293
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: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1257.893901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.893901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.893901 (E_RNA)
where:
Base-Base interactions energy: -884.399
where: short stacking energy: -369.848
Base-Backbone interact. energy: -0.262
local terms energy: -373.233165
where:
bonds (distance) C4'-P energy: -74.219
bonds (distance) P-C4' energy: -71.406
flat angles C4'-P-C4' energy: -76.893
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -103.725
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: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1228.548782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.548782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.548782 (E_RNA)
where:
Base-Base interactions energy: -864.049
where: short stacking energy: -360.556
Base-Backbone interact. energy: -1.501
local terms energy: -362.999003
where:
bonds (distance) C4'-P energy: -68.688
bonds (distance) P-C4' energy: -66.541
flat angles C4'-P-C4' energy: -80.143
flat angles P-C4'-P energy: -45.471
tors. eta vs tors. theta energy: -102.155
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: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1115.433627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.433627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.433627 (E_RNA)
where:
Base-Base interactions energy: -762.185
where: short stacking energy: -320.906
Base-Backbone interact. energy: -0.896
local terms energy: -352.352437
where:
bonds (distance) C4'-P energy: -60.696
bonds (distance) P-C4' energy: -67.448
flat angles C4'-P-C4' energy: -79.402
flat angles P-C4'-P energy: -54.483
tors. eta vs tors. theta energy: -90.324
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: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1090.171018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.171018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.171018 (E_RNA)
where:
Base-Base interactions energy: -754.781
where: short stacking energy: -339.488
Base-Backbone interact. energy: 1.039
local terms energy: -336.429183
where:
bonds (distance) C4'-P energy: -69.802
bonds (distance) P-C4' energy: -57.148
flat angles C4'-P-C4' energy: -73.044
flat angles P-C4'-P energy: -44.715
tors. eta vs tors. theta energy: -91.720
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: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1020.169405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.169405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.169405 (E_RNA)
where:
Base-Base interactions energy: -707.366
where: short stacking energy: -300.969
Base-Backbone interact. energy: 0.209
local terms energy: -313.012299
where:
bonds (distance) C4'-P energy: -52.450
bonds (distance) P-C4' energy: -62.193
flat angles C4'-P-C4' energy: -70.931
flat angles P-C4'-P energy: -48.375
tors. eta vs tors. theta energy: -79.062
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: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -793.956908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.956908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.956908 (E_RNA)
where:
Base-Base interactions energy: -542.987
where: short stacking energy: -223.647
Base-Backbone interact. energy: -1.522
local terms energy: -249.447891
where:
bonds (distance) C4'-P energy: -46.425
bonds (distance) P-C4' energy: -47.144
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -43.996
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: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -407.038251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.038251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.038251 (E_RNA)
where:
Base-Base interactions energy: -182.940
where: short stacking energy: -105.306
Base-Backbone interact. energy: -0.893
local terms energy: -223.205181
where:
bonds (distance) C4'-P energy: -66.471
bonds (distance) P-C4' energy: -66.566
flat angles C4'-P-C4' energy: -50.527
flat angles P-C4'-P energy: -44.706
tors. eta vs tors. theta energy: 5.065
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: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1480.760888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.760888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.760888 (E_RNA)
where:
Base-Base interactions energy: -1069.091
where: short stacking energy: -447.857
Base-Backbone interact. energy: -1.407
local terms energy: -410.263178
where:
bonds (distance) C4'-P energy: -75.596
bonds (distance) P-C4' energy: -74.391
flat angles C4'-P-C4' energy: -80.081
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -125.352
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: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1357.431667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.431667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.431667 (E_RNA)
where:
Base-Base interactions energy: -976.113
where: short stacking energy: -382.141
Base-Backbone interact. energy: -2.770
local terms energy: -378.548850
where:
bonds (distance) C4'-P energy: -73.533
bonds (distance) P-C4' energy: -67.132
flat angles C4'-P-C4' energy: -82.035
flat angles P-C4'-P energy: -49.129
tors. eta vs tors. theta energy: -106.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1306.404687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.404687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.404687 (E_RNA)
where:
Base-Base interactions energy: -917.028
where: short stacking energy: -384.078
Base-Backbone interact. energy: -0.510
local terms energy: -388.866814
where:
bonds (distance) C4'-P energy: -78.385
bonds (distance) P-C4' energy: -78.908
flat angles C4'-P-C4' energy: -83.473
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -103.262
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: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1277.141565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.141565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.141565 (E_RNA)
where:
Base-Base interactions energy: -904.206
where: short stacking energy: -395.162
Base-Backbone interact. energy: -1.301
local terms energy: -371.634968
where:
bonds (distance) C4'-P energy: -63.470
bonds (distance) P-C4' energy: -67.210
flat angles C4'-P-C4' energy: -75.607
flat angles P-C4'-P energy: -49.342
tors. eta vs tors. theta energy: -116.006
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: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1237.637472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.637472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.637472 (E_RNA)
where:
Base-Base interactions energy: -885.346
where: short stacking energy: -398.857
Base-Backbone interact. energy: -1.300
local terms energy: -350.991947
where:
bonds (distance) C4'-P energy: -64.092
bonds (distance) P-C4' energy: -54.038
flat angles C4'-P-C4' energy: -72.514
flat angles P-C4'-P energy: -56.505
tors. eta vs tors. theta energy: -103.842
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: 314
Temperature: 1.150000
Total energy: -1116.856196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.856196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.856196 (E_RNA)
where:
Base-Base interactions energy: -772.099
where: short stacking energy: -321.223
Base-Backbone interact. energy: -1.174
local terms energy: -343.583086
where:
bonds (distance) C4'-P energy: -60.361
bonds (distance) P-C4' energy: -66.393
flat angles C4'-P-C4' energy: -84.781
flat angles P-C4'-P energy: -50.647
tors. eta vs tors. theta energy: -81.401
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: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1039.135507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.135507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.135507 (E_RNA)
where:
Base-Base interactions energy: -725.007
where: short stacking energy: -318.658
Base-Backbone interact. energy: -0.729
local terms energy: -313.398836
where:
bonds (distance) C4'-P energy: -58.600
bonds (distance) P-C4' energy: -64.175
flat angles C4'-P-C4' energy: -62.171
flat angles P-C4'-P energy: -46.338
tors. eta vs tors. theta energy: -82.115
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: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1034.221289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.221289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.221289 (E_RNA)
where:
Base-Base interactions energy: -736.124
where: short stacking energy: -314.777
Base-Backbone interact. energy: -3.291
local terms energy: -294.806335
where:
bonds (distance) C4'-P energy: -52.660
bonds (distance) P-C4' energy: -43.379
flat angles C4'-P-C4' energy: -72.366
flat angles P-C4'-P energy: -45.012
tors. eta vs tors. theta energy: -81.389
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: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -758.926924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.926924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.926924 (E_RNA)
where:
Base-Base interactions energy: -508.225
where: short stacking energy: -197.390
Base-Backbone interact. energy: 3.061
local terms energy: -253.762550
where:
bonds (distance) C4'-P energy: -55.935
bonds (distance) P-C4' energy: -73.789
flat angles C4'-P-C4' energy: -62.926
flat angles P-C4'-P energy: -32.850
tors. eta vs tors. theta energy: -28.262
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: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -405.060276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.060276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.060276 (E_RNA)
where:
Base-Base interactions energy: -208.396
where: short stacking energy: -129.652
Base-Backbone interact. energy: -1.054
local terms energy: -195.610254
where:
bonds (distance) C4'-P energy: -75.546
bonds (distance) P-C4' energy: -51.945
flat angles C4'-P-C4' energy: -55.153
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: 6.911
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: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1468.451118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.451118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.451118 (E_RNA)
where:
Base-Base interactions energy: -1053.116
where: short stacking energy: -432.007
Base-Backbone interact. energy: -0.588
local terms energy: -414.747539
where:
bonds (distance) C4'-P energy: -67.167
bonds (distance) P-C4' energy: -78.386
flat angles C4'-P-C4' energy: -89.034
flat angles P-C4'-P energy: -56.515
tors. eta vs tors. theta energy: -123.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1375.492655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.492655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.492655 (E_RNA)
where:
Base-Base interactions energy: -985.401
where: short stacking energy: -382.558
Base-Backbone interact. energy: -1.352
local terms energy: -388.739612
where:
bonds (distance) C4'-P energy: -76.641
bonds (distance) P-C4' energy: -74.472
flat angles C4'-P-C4' energy: -79.116
flat angles P-C4'-P energy: -55.706
tors. eta vs tors. theta energy: -102.804
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: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1305.531464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.531464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.531464 (E_RNA)
where:
Base-Base interactions energy: -928.463
where: short stacking energy: -386.618
Base-Backbone interact. energy: -1.273
local terms energy: -375.795602
where:
bonds (distance) C4'-P energy: -67.573
bonds (distance) P-C4' energy: -81.588
flat angles C4'-P-C4' energy: -69.071
flat angles P-C4'-P energy: -45.767
tors. eta vs tors. theta energy: -111.797
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: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1291.294094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.294094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.294094 (E_RNA)
where:
Base-Base interactions energy: -892.919
where: short stacking energy: -374.018
Base-Backbone interact. energy: -0.562
local terms energy: -397.812809
where:
bonds (distance) C4'-P energy: -75.525
bonds (distance) P-C4' energy: -79.973
flat angles C4'-P-C4' energy: -79.599
flat angles P-C4'-P energy: -53.731
tors. eta vs tors. theta energy: -108.985
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: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1235.100855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.100855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.100855 (E_RNA)
where:
Base-Base interactions energy: -874.211
where: short stacking energy: -374.755
Base-Backbone interact. energy: -0.324
local terms energy: -360.564915
where:
bonds (distance) C4'-P energy: -67.146
bonds (distance) P-C4' energy: -63.533
flat angles C4'-P-C4' energy: -82.621
flat angles P-C4'-P energy: -49.123
tors. eta vs tors. theta energy: -98.142
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: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1146.749570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.749570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.749570 (E_RNA)
where:
Base-Base interactions energy: -797.720
where: short stacking energy: -322.957
Base-Backbone interact. energy: -0.893
local terms energy: -348.136709
where:
bonds (distance) C4'-P energy: -65.058
bonds (distance) P-C4' energy: -64.757
flat angles C4'-P-C4' energy: -75.717
flat angles P-C4'-P energy: -56.763
tors. eta vs tors. theta energy: -85.841
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: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1071.028878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.028878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.028878 (E_RNA)
where:
Base-Base interactions energy: -731.013
where: short stacking energy: -336.872
Base-Backbone interact. energy: -3.097
local terms energy: -336.919268
where:
bonds (distance) C4'-P energy: -55.535
bonds (distance) P-C4' energy: -63.924
flat angles C4'-P-C4' energy: -72.801
flat angles P-C4'-P energy: -46.644
tors. eta vs tors. theta energy: -98.015
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: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1011.715831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.715831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.715831 (E_RNA)
where:
Base-Base interactions energy: -702.104
where: short stacking energy: -296.540
Base-Backbone interact. energy: -0.633
local terms energy: -308.979081
where:
bonds (distance) C4'-P energy: -55.704
bonds (distance) P-C4' energy: -54.983
flat angles C4'-P-C4' energy: -77.174
flat angles P-C4'-P energy: -49.263
tors. eta vs tors. theta energy: -71.855
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: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -795.309131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.309131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.309131 (E_RNA)
where:
Base-Base interactions energy: -524.952
where: short stacking energy: -240.386
Base-Backbone interact. energy: 2.417
local terms energy: -272.774330
where:
bonds (distance) C4'-P energy: -46.455
bonds (distance) P-C4' energy: -73.316
flat angles C4'-P-C4' energy: -57.651
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -58.038
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: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -406.469953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.469953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.469953 (E_RNA)
where:
Base-Base interactions energy: -185.363
where: short stacking energy: -130.266
Base-Backbone interact. energy: 1.607
local terms energy: -222.713879
where:
bonds (distance) C4'-P energy: -61.544
bonds (distance) P-C4' energy: -63.699
flat angles C4'-P-C4' energy: -48.989
flat angles P-C4'-P energy: -36.456
tors. eta vs tors. theta energy: -12.025
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: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1466.001418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.001418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.001418 (E_RNA)
where:
Base-Base interactions energy: -1058.432
where: short stacking energy: -430.216
Base-Backbone interact. energy: 0.165
local terms energy: -407.734266
where:
bonds (distance) C4'-P energy: -84.687
bonds (distance) P-C4' energy: -68.029
flat angles C4'-P-C4' energy: -87.250
flat angles P-C4'-P energy: -56.964
tors. eta vs tors. theta energy: -110.805
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: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1365.594157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.594157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.594157 (E_RNA)
where:
Base-Base interactions energy: -981.339
where: short stacking energy: -393.593
Base-Backbone interact. energy: -1.648
local terms energy: -382.607040
where:
bonds (distance) C4'-P energy: -71.998
bonds (distance) P-C4' energy: -74.948
flat angles C4'-P-C4' energy: -85.709
flat angles P-C4'-P energy: -50.749
tors. eta vs tors. theta energy: -99.203
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: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1288.721319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.721319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.721319 (E_RNA)
where:
Base-Base interactions energy: -925.839
where: short stacking energy: -382.409
Base-Backbone interact. energy: 1.029
local terms energy: -363.911393
where:
bonds (distance) C4'-P energy: -55.232
bonds (distance) P-C4' energy: -73.441
flat angles C4'-P-C4' energy: -78.698
flat angles P-C4'-P energy: -46.952
tors. eta vs tors. theta energy: -109.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1272.436817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.436817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.436817 (E_RNA)
where:
Base-Base interactions energy: -890.684
where: short stacking energy: -383.421
Base-Backbone interact. energy: -0.740
local terms energy: -381.012730
where:
bonds (distance) C4'-P energy: -65.238
bonds (distance) P-C4' energy: -78.386
flat angles C4'-P-C4' energy: -76.602
flat angles P-C4'-P energy: -54.214
tors. eta vs tors. theta energy: -106.572
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: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1205.870833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.870833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.870833 (E_RNA)
where:
Base-Base interactions energy: -839.712
where: short stacking energy: -335.025
Base-Backbone interact. energy: -0.952
local terms energy: -365.206895
where:
bonds (distance) C4'-P energy: -75.025
bonds (distance) P-C4' energy: -74.629
flat angles C4'-P-C4' energy: -74.011
flat angles P-C4'-P energy: -48.989
tors. eta vs tors. theta energy: -92.552
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: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1154.091498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.091498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.091498 (E_RNA)
where:
Base-Base interactions energy: -786.938
where: short stacking energy: -346.377
Base-Backbone interact. energy: 1.235
local terms energy: -368.388759
where:
bonds (distance) C4'-P energy: -70.963
bonds (distance) P-C4' energy: -72.622
flat angles C4'-P-C4' energy: -77.502
flat angles P-C4'-P energy: -53.377
tors. eta vs tors. theta energy: -93.924
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: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1066.349633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.349633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.349633 (E_RNA)
where:
Base-Base interactions energy: -748.654
where: short stacking energy: -324.890
Base-Backbone interact. energy: -0.223
local terms energy: -317.472850
where:
bonds (distance) C4'-P energy: -70.743
bonds (distance) P-C4' energy: -52.893
flat angles C4'-P-C4' energy: -71.827
flat angles P-C4'-P energy: -37.251
tors. eta vs tors. theta energy: -84.759
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: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -962.494885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.494885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.494885 (E_RNA)
where:
Base-Base interactions energy: -653.044
where: short stacking energy: -290.902
Base-Backbone interact. energy: -0.288
local terms energy: -309.163111
where:
bonds (distance) C4'-P energy: -55.495
bonds (distance) P-C4' energy: -63.277
flat angles C4'-P-C4' energy: -72.046
flat angles P-C4'-P energy: -47.236
tors. eta vs tors. theta energy: -71.109
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: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -812.554455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.554455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.554455 (E_RNA)
where:
Base-Base interactions energy: -544.063
where: short stacking energy: -225.398
Base-Backbone interact. energy: 0.158
local terms energy: -268.649185
where:
bonds (distance) C4'-P energy: -51.189
bonds (distance) P-C4' energy: -71.129
flat angles C4'-P-C4' energy: -64.328
flat angles P-C4'-P energy: -29.114
tors. eta vs tors. theta energy: -52.890
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: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -528.638455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.638455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.638455 (E_RNA)
where:
Base-Base interactions energy: -307.123
where: short stacking energy: -141.907
Base-Backbone interact. energy: 3.087
local terms energy: -224.603098
where:
bonds (distance) C4'-P energy: -55.116
bonds (distance) P-C4' energy: -63.652
flat angles C4'-P-C4' energy: -57.709
flat angles P-C4'-P energy: -37.608
tors. eta vs tors. theta energy: -10.518
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: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1465.300890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.300890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.300890 (E_RNA)
where:
Base-Base interactions energy: -1056.099
where: short stacking energy: -437.686
Base-Backbone interact. energy: -1.158
local terms energy: -408.044125
where:
bonds (distance) C4'-P energy: -75.388
bonds (distance) P-C4' energy: -77.020
flat angles C4'-P-C4' energy: -86.682
flat angles P-C4'-P energy: -57.587
tors. eta vs tors. theta energy: -111.367
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: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1349.991242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.991242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.991242 (E_RNA)
where:
Base-Base interactions energy: -967.947
where: short stacking energy: -388.283
Base-Backbone interact. energy: -0.223
local terms energy: -381.821771
where:
bonds (distance) C4'-P energy: -75.137
bonds (distance) P-C4' energy: -77.368
flat angles C4'-P-C4' energy: -72.865
flat angles P-C4'-P energy: -49.732
tors. eta vs tors. theta energy: -106.720
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: 317
Temperature: 1.000000
Total energy: -1292.264422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.264422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.264422 (E_RNA)
where:
Base-Base interactions energy: -900.487
where: short stacking energy: -380.066
Base-Backbone interact. energy: -1.152
local terms energy: -390.625297
where:
bonds (distance) C4'-P energy: -71.293
bonds (distance) P-C4' energy: -84.233
flat angles C4'-P-C4' energy: -85.046
flat angles P-C4'-P energy: -46.860
tors. eta vs tors. theta energy: -103.194
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: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1271.186397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.186397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.186397 (E_RNA)
where:
Base-Base interactions energy: -900.847
where: short stacking energy: -378.312
Base-Backbone interact. energy: 1.794
local terms energy: -372.133369
where:
bonds (distance) C4'-P energy: -63.360
bonds (distance) P-C4' energy: -76.047
flat angles C4'-P-C4' energy: -79.324
flat angles P-C4'-P energy: -55.417
tors. eta vs tors. theta energy: -97.985
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: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1199.413306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.413306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.413306 (E_RNA)
where:
Base-Base interactions energy: -853.256
where: short stacking energy: -346.232
Base-Backbone interact. energy: -0.542
local terms energy: -345.615703
where:
bonds (distance) C4'-P energy: -58.047
bonds (distance) P-C4' energy: -64.888
flat angles C4'-P-C4' energy: -82.365
flat angles P-C4'-P energy: -46.342
tors. eta vs tors. theta energy: -93.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1177.976761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.976761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.976761 (E_RNA)
where:
Base-Base interactions energy: -820.488
where: short stacking energy: -371.896
Base-Backbone interact. energy: -0.694
local terms energy: -356.794761
where:
bonds (distance) C4'-P energy: -67.981
bonds (distance) P-C4' energy: -73.905
flat angles C4'-P-C4' energy: -62.686
flat angles P-C4'-P energy: -56.897
tors. eta vs tors. theta energy: -95.326
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: 7, replica: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1057.301035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.301035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.301035 (E_RNA)
where:
Base-Base interactions energy: -714.053
where: short stacking energy: -299.297
Base-Backbone interact. energy: -1.444
local terms energy: -341.804903
where:
bonds (distance) C4'-P energy: -72.316
bonds (distance) P-C4' energy: -63.490
flat angles C4'-P-C4' energy: -83.726
flat angles P-C4'-P energy: -44.731
tors. eta vs tors. theta energy: -77.541
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: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -967.007593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.007593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.007593 (E_RNA)
where:
Base-Base interactions energy: -659.423
where: short stacking energy: -278.596
Base-Backbone interact. energy: -0.904
local terms energy: -306.680764
where:
bonds (distance) C4'-P energy: -56.974
bonds (distance) P-C4' energy: -62.339
flat angles C4'-P-C4' energy: -73.600
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -77.242
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: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -799.664483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.664483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.664483 (E_RNA)
where:
Base-Base interactions energy: -526.864
where: short stacking energy: -210.380
Base-Backbone interact. energy: -2.288
local terms energy: -270.512695
where:
bonds (distance) C4'-P energy: -68.511
bonds (distance) P-C4' energy: -57.604
flat angles C4'-P-C4' energy: -59.880
flat angles P-C4'-P energy: -40.288
tors. eta vs tors. theta energy: -44.230
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: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -510.918274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.918274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.918274 (E_RNA)
where:
Base-Base interactions energy: -284.194
where: short stacking energy: -149.548
Base-Backbone interact. energy: -1.533
local terms energy: -225.190750
where:
bonds (distance) C4'-P energy: -65.248
bonds (distance) P-C4' energy: -66.116
flat angles C4'-P-C4' energy: -46.257
flat angles P-C4'-P energy: -28.785
tors. eta vs tors. theta energy: -18.785
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: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1485.950892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.950892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.950892 (E_RNA)
where:
Base-Base interactions energy: -1070.190
where: short stacking energy: -433.293
Base-Backbone interact. energy: -0.593
local terms energy: -415.168177
where:
bonds (distance) C4'-P energy: -68.693
bonds (distance) P-C4' energy: -76.828
flat angles C4'-P-C4' energy: -92.458
flat angles P-C4'-P energy: -59.597
tors. eta vs tors. theta energy: -117.592
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: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1382.022826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.022826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.022826 (E_RNA)
where:
Base-Base interactions energy: -991.262
where: short stacking energy: -398.508
Base-Backbone interact. energy: -2.872
local terms energy: -387.888120
where:
bonds (distance) C4'-P energy: -80.252
bonds (distance) P-C4' energy: -76.243
flat angles C4'-P-C4' energy: -77.956
flat angles P-C4'-P energy: -51.176
tors. eta vs tors. theta energy: -102.262
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: 318
Temperature: 1.000000
Total energy: -1286.021491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.021491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.021491 (E_RNA)
where:
Base-Base interactions energy: -903.334
where: short stacking energy: -379.876
Base-Backbone interact. energy: -2.346
local terms energy: -380.341649
where:
bonds (distance) C4'-P energy: -77.347
bonds (distance) P-C4' energy: -74.277
flat angles C4'-P-C4' energy: -77.389
flat angles P-C4'-P energy: -40.373
tors. eta vs tors. theta energy: -110.956
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: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1260.469283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.469283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.469283 (E_RNA)
where:
Base-Base interactions energy: -897.768
where: short stacking energy: -381.384
Base-Backbone interact. energy: -0.243
local terms energy: -362.458094
where:
bonds (distance) C4'-P energy: -62.248
bonds (distance) P-C4' energy: -68.838
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -52.544
tors. eta vs tors. theta energy: -105.158
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: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1190.256324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.256324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.256324 (E_RNA)
where:
Base-Base interactions energy: -836.718
where: short stacking energy: -343.447
Base-Backbone interact. energy: -0.381
local terms energy: -353.157920
where:
bonds (distance) C4'-P energy: -70.593
bonds (distance) P-C4' energy: -62.523
flat angles C4'-P-C4' energy: -79.814
flat angles P-C4'-P energy: -45.237
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: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1153.567403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.567403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.567403 (E_RNA)
where:
Base-Base interactions energy: -791.678
where: short stacking energy: -342.540
Base-Backbone interact. energy: -1.363
local terms energy: -360.526709
where:
bonds (distance) C4'-P energy: -65.659
bonds (distance) P-C4' energy: -67.829
flat angles C4'-P-C4' energy: -79.424
flat angles P-C4'-P energy: -59.216
tors. eta vs tors. theta energy: -88.398
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: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1050.612750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.612750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.612750 (E_RNA)
where:
Base-Base interactions energy: -711.643
where: short stacking energy: -313.708
Base-Backbone interact. energy: -2.079
local terms energy: -336.890627
where:
bonds (distance) C4'-P energy: -72.802
bonds (distance) P-C4' energy: -62.692
flat angles C4'-P-C4' energy: -71.163
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -88.437
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: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -955.823817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.823817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.823817 (E_RNA)
where:
Base-Base interactions energy: -661.427
where: short stacking energy: -275.713
Base-Backbone interact. energy: -0.597
local terms energy: -293.800485
where:
bonds (distance) C4'-P energy: -60.214
bonds (distance) P-C4' energy: -63.665
flat angles C4'-P-C4' energy: -67.294
flat angles P-C4'-P energy: -30.287
tors. eta vs tors. theta energy: -72.339
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: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -749.722626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.722626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.722626 (E_RNA)
where:
Base-Base interactions energy: -509.875
where: short stacking energy: -217.729
Base-Backbone interact. energy: 6.177
local terms energy: -246.024326
where:
bonds (distance) C4'-P energy: -56.809
bonds (distance) P-C4' energy: -54.769
flat angles C4'-P-C4' energy: -49.938
flat angles P-C4'-P energy: -42.196
tors. eta vs tors. theta energy: -42.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -475.391001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.391001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.391001 (E_RNA)
where:
Base-Base interactions energy: -258.219
where: short stacking energy: -139.283
Base-Backbone interact. energy: 0.219
local terms energy: -217.391112
where:
bonds (distance) C4'-P energy: -59.838
bonds (distance) P-C4' energy: -64.692
flat angles C4'-P-C4' energy: -48.916
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -20.496
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: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1485.939412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.939412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.939412 (E_RNA)
where:
Base-Base interactions energy: -1076.358
where: short stacking energy: -435.780
Base-Backbone interact. energy: -0.918
local terms energy: -408.662728
where:
bonds (distance) C4'-P energy: -73.708
bonds (distance) P-C4' energy: -79.914
flat angles C4'-P-C4' energy: -85.627
flat angles P-C4'-P energy: -50.860
tors. eta vs tors. theta energy: -118.554
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: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1391.441141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.441141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.441141 (E_RNA)
where:
Base-Base interactions energy: -980.337
where: short stacking energy: -386.992
Base-Backbone interact. energy: -1.683
local terms energy: -409.420669
where:
bonds (distance) C4'-P energy: -68.229
bonds (distance) P-C4' energy: -85.119
flat angles C4'-P-C4' energy: -86.095
flat angles P-C4'-P energy: -69.680
tors. eta vs tors. theta energy: -100.298
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: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1273.317269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.317269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.317269 (E_RNA)
where:
Base-Base interactions energy: -897.714
where: short stacking energy: -372.752
Base-Backbone interact. energy: -1.420
local terms energy: -374.182957
where:
bonds (distance) C4'-P energy: -69.632
bonds (distance) P-C4' energy: -70.186
flat angles C4'-P-C4' energy: -82.000
flat angles P-C4'-P energy: -48.470
tors. eta vs tors. theta energy: -103.895
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: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1267.819105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.819105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.819105 (E_RNA)
where:
Base-Base interactions energy: -886.445
where: short stacking energy: -374.603
Base-Backbone interact. energy: -1.931
local terms energy: -379.443723
where:
bonds (distance) C4'-P energy: -57.183
bonds (distance) P-C4' energy: -74.118
flat angles C4'-P-C4' energy: -85.285
flat angles P-C4'-P energy: -52.327
tors. eta vs tors. theta energy: -110.531
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: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1212.585024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.585024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.585024 (E_RNA)
where:
Base-Base interactions energy: -858.965
where: short stacking energy: -335.079
Base-Backbone interact. energy: -1.191
local terms energy: -352.428964
where:
bonds (distance) C4'-P energy: -60.250
bonds (distance) P-C4' energy: -72.209
flat angles C4'-P-C4' energy: -79.518
flat angles P-C4'-P energy: -52.795
tors. eta vs tors. theta energy: -87.656
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: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1102.404417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.404417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.404417 (E_RNA)
where:
Base-Base interactions energy: -770.038
where: short stacking energy: -321.269
Base-Backbone interact. energy: -2.590
local terms energy: -329.776916
where:
bonds (distance) C4'-P energy: -61.311
bonds (distance) P-C4' energy: -55.924
flat angles C4'-P-C4' energy: -76.829
flat angles P-C4'-P energy: -44.229
tors. eta vs tors. theta energy: -91.484
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: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1158.639361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.639361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.639361 (E_RNA)
where:
Base-Base interactions energy: -820.848
where: short stacking energy: -348.683
Base-Backbone interact. energy: 0.550
local terms energy: -338.341358
where:
bonds (distance) C4'-P energy: -66.623
bonds (distance) P-C4' energy: -56.499
flat angles C4'-P-C4' energy: -83.106
flat angles P-C4'-P energy: -37.901
tors. eta vs tors. theta energy: -94.213
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: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -914.350378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.350378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.350378 (E_RNA)
where:
Base-Base interactions energy: -613.507
where: short stacking energy: -250.017
Base-Backbone interact. energy: -0.501
local terms energy: -300.342954
where:
bonds (distance) C4'-P energy: -55.774
bonds (distance) P-C4' energy: -68.375
flat angles C4'-P-C4' energy: -65.299
flat angles P-C4'-P energy: -49.673
tors. eta vs tors. theta energy: -61.222
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: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -713.148316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.148316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.148316 (E_RNA)
where:
Base-Base interactions energy: -466.077
where: short stacking energy: -203.990
Base-Backbone interact. energy: 1.631
local terms energy: -248.702107
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -68.136
flat angles C4'-P-C4' energy: -67.948
flat angles P-C4'-P energy: -35.642
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: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -475.331850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.331850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.331850 (E_RNA)
where:
Base-Base interactions energy: -249.153
where: short stacking energy: -108.503
Base-Backbone interact. energy: -2.808
local terms energy: -223.370787
where:
bonds (distance) C4'-P energy: -63.451
bonds (distance) P-C4' energy: -52.405
flat angles C4'-P-C4' energy: -72.013
flat angles P-C4'-P energy: -39.164
tors. eta vs tors. theta energy: 3.662
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: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1490.436658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.436658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.436658 (E_RNA)
where:
Base-Base interactions energy: -1076.057
where: short stacking energy: -435.579
Base-Backbone interact. energy: -0.992
local terms energy: -413.387147
where:
bonds (distance) C4'-P energy: -68.113
bonds (distance) P-C4' energy: -79.060
flat angles C4'-P-C4' energy: -87.751
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -114.942
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: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1372.684474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.684474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.684474 (E_RNA)
where:
Base-Base interactions energy: -994.140
where: short stacking energy: -395.796
Base-Backbone interact. energy: -1.177
local terms energy: -377.367308
where:
bonds (distance) C4'-P energy: -69.089
bonds (distance) P-C4' energy: -70.001
flat angles C4'-P-C4' energy: -80.447
flat angles P-C4'-P energy: -51.469
tors. eta vs tors. theta energy: -106.362
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: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1302.464638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.464638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.464638 (E_RNA)
where:
Base-Base interactions energy: -913.629
where: short stacking energy: -384.686
Base-Backbone interact. energy: -1.914
local terms energy: -386.920973
where:
bonds (distance) C4'-P energy: -74.010
bonds (distance) P-C4' energy: -69.852
flat angles C4'-P-C4' energy: -86.575
flat angles P-C4'-P energy: -47.411
tors. eta vs tors. theta energy: -109.072
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: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1264.594700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.594700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.594700 (E_RNA)
where:
Base-Base interactions energy: -889.969
where: short stacking energy: -370.721
Base-Backbone interact. energy: 0.225
local terms energy: -374.850489
where:
bonds (distance) C4'-P energy: -65.345
bonds (distance) P-C4' energy: -76.594
flat angles C4'-P-C4' energy: -81.729
flat angles P-C4'-P energy: -49.488
tors. eta vs tors. theta energy: -101.695
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: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1201.248044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.248044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.248044 (E_RNA)
where:
Base-Base interactions energy: -854.205
where: short stacking energy: -351.092
Base-Backbone interact. energy: -2.654
local terms energy: -344.388610
where:
bonds (distance) C4'-P energy: -65.195
bonds (distance) P-C4' energy: -67.231
flat angles C4'-P-C4' energy: -74.687
flat angles P-C4'-P energy: -46.835
tors. eta vs tors. theta energy: -90.440
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: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1072.440223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.440223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.440223 (E_RNA)
where:
Base-Base interactions energy: -741.701
where: short stacking energy: -309.513
Base-Backbone interact. energy: -2.032
local terms energy: -328.707086
where:
bonds (distance) C4'-P energy: -60.372
bonds (distance) P-C4' energy: -59.749
flat angles C4'-P-C4' energy: -81.727
flat angles P-C4'-P energy: -43.210
tors. eta vs tors. theta energy: -83.649
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: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1133.468696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.468696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.468696 (E_RNA)
where:
Base-Base interactions energy: -784.261
where: short stacking energy: -329.436
Base-Backbone interact. energy: -0.845
local terms energy: -348.363452
where:
bonds (distance) C4'-P energy: -64.087
bonds (distance) P-C4' energy: -61.416
flat angles C4'-P-C4' energy: -79.272
flat angles P-C4'-P energy: -46.827
tors. eta vs tors. theta energy: -96.761
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: 8, replica: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -906.864296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.864296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.864296 (E_RNA)
where:
Base-Base interactions energy: -627.838
where: short stacking energy: -256.677
Base-Backbone interact. energy: -1.529
local terms energy: -277.497583
where:
bonds (distance) C4'-P energy: -60.943
bonds (distance) P-C4' energy: -55.442
flat angles C4'-P-C4' energy: -65.743
flat angles P-C4'-P energy: -39.861
tors. eta vs tors. theta energy: -55.509
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: 9, replica: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -601.725603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.725603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.725603 (E_RNA)
where:
Base-Base interactions energy: -373.050
where: short stacking energy: -160.586
Base-Backbone interact. energy: -1.336
local terms energy: -227.339652
where:
bonds (distance) C4'-P energy: -55.427
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -61.418
flat angles P-C4'-P energy: -35.814
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: 320
Temperature: 1.350000
Total energy: -388.474598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.474598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.474598 (E_RNA)
where:
Base-Base interactions energy: -206.176
where: short stacking energy: -121.132
Base-Backbone interact. energy: -0.249
local terms energy: -182.049060
where:
bonds (distance) C4'-P energy: -46.605
bonds (distance) P-C4' energy: -63.421
flat angles C4'-P-C4' energy: -45.143
flat angles P-C4'-P energy: -29.400
tors. eta vs tors. theta energy: 2.520
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: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1478.975374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.975374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.975374 (E_RNA)
where:
Base-Base interactions energy: -1069.670
where: short stacking energy: -440.335
Base-Backbone interact. energy: -0.524
local terms energy: -408.781379
where:
bonds (distance) C4'-P energy: -62.645
bonds (distance) P-C4' energy: -79.477
flat angles C4'-P-C4' energy: -90.190
flat angles P-C4'-P energy: -60.078
tors. eta vs tors. theta energy: -116.392
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: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1366.981347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.981347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.981347 (E_RNA)
where:
Base-Base interactions energy: -982.662
where: short stacking energy: -395.483
Base-Backbone interact. energy: -2.806
local terms energy: -381.513603
where:
bonds (distance) C4'-P energy: -76.878
bonds (distance) P-C4' energy: -71.715
flat angles C4'-P-C4' energy: -73.354
flat angles P-C4'-P energy: -57.827
tors. eta vs tors. theta energy: -101.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1294.433319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.433319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.433319 (E_RNA)
where:
Base-Base interactions energy: -897.817
where: short stacking energy: -389.289
Base-Backbone interact. energy: 2.154
local terms energy: -398.770506
where:
bonds (distance) C4'-P energy: -69.966
bonds (distance) P-C4' energy: -79.873
flat angles C4'-P-C4' energy: -86.280
flat angles P-C4'-P energy: -53.639
tors. eta vs tors. theta energy: -109.012
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: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1252.978711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.978711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.978711 (E_RNA)
where:
Base-Base interactions energy: -884.570
where: short stacking energy: -372.714
Base-Backbone interact. energy: -0.777
local terms energy: -367.632271
where:
bonds (distance) C4'-P energy: -81.403
bonds (distance) P-C4' energy: -55.905
flat angles C4'-P-C4' energy: -77.644
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -108.590
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: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1200.848878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.848878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.848878 (E_RNA)
where:
Base-Base interactions energy: -857.379
where: short stacking energy: -355.654
Base-Backbone interact. energy: -0.003
local terms energy: -343.466729
where:
bonds (distance) C4'-P energy: -62.733
bonds (distance) P-C4' energy: -62.340
flat angles C4'-P-C4' energy: -76.775
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -100.418
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: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1152.465539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.465539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.465539 (E_RNA)
where:
Base-Base interactions energy: -805.578
where: short stacking energy: -348.076
Base-Backbone interact. energy: 2.203
local terms energy: -349.090516
where:
bonds (distance) C4'-P energy: -73.647
bonds (distance) P-C4' energy: -71.030
flat angles C4'-P-C4' energy: -66.881
flat angles P-C4'-P energy: -42.751
tors. eta vs tors. theta energy: -94.781
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: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1114.080044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.080044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.080044 (E_RNA)
where:
Base-Base interactions energy: -769.503
where: short stacking energy: -329.198
Base-Backbone interact. energy: 2.020
local terms energy: -346.596729
where:
bonds (distance) C4'-P energy: -69.937
bonds (distance) P-C4' energy: -68.494
flat angles C4'-P-C4' energy: -69.522
flat angles P-C4'-P energy: -49.679
tors. eta vs tors. theta energy: -88.965
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: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -920.716217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.716217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.716217 (E_RNA)
where:
Base-Base interactions energy: -622.307
where: short stacking energy: -279.455
Base-Backbone interact. energy: -1.841
local terms energy: -296.567811
where:
bonds (distance) C4'-P energy: -55.189
bonds (distance) P-C4' energy: -63.783
flat angles C4'-P-C4' energy: -71.275
flat angles P-C4'-P energy: -39.860
tors. eta vs tors. theta energy: -66.461
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: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -645.802142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.802142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.802142 (E_RNA)
where:
Base-Base interactions energy: -405.443
where: short stacking energy: -186.464
Base-Backbone interact. energy: 2.941
local terms energy: -243.300029
where:
bonds (distance) C4'-P energy: -62.974
bonds (distance) P-C4' energy: -69.928
flat angles C4'-P-C4' energy: -53.865
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -28.756
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: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -324.061661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.061661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.061661 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -84.267
Base-Backbone interact. energy: 3.048
local terms energy: -186.900492
where:
bonds (distance) C4'-P energy: -52.371
bonds (distance) P-C4' energy: -67.818
flat angles C4'-P-C4' energy: -57.394
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: 9.323
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: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1475.736383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.736383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.736383 (E_RNA)
where:
Base-Base interactions energy: -1074.503
where: short stacking energy: -436.391
Base-Backbone interact. energy: -1.220
local terms energy: -400.013701
where:
bonds (distance) C4'-P energy: -69.459
bonds (distance) P-C4' energy: -69.948
flat angles C4'-P-C4' energy: -83.796
flat angles P-C4'-P energy: -51.586
tors. eta vs tors. theta energy: -125.225
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: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1404.175800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.175800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.175800 (E_RNA)
where:
Base-Base interactions energy: -1019.871
where: short stacking energy: -405.867
Base-Backbone interact. energy: 3.034
local terms energy: -387.338847
where:
bonds (distance) C4'-P energy: -76.349
bonds (distance) P-C4' energy: -64.804
flat angles C4'-P-C4' energy: -84.236
flat angles P-C4'-P energy: -61.205
tors. eta vs tors. theta energy: -100.745
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: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1294.252551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.252551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.252551 (E_RNA)
where:
Base-Base interactions energy: -921.474
where: short stacking energy: -400.935
Base-Backbone interact. energy: -0.431
local terms energy: -372.346748
where:
bonds (distance) C4'-P energy: -65.867
bonds (distance) P-C4' energy: -70.668
flat angles C4'-P-C4' energy: -81.742
flat angles P-C4'-P energy: -46.088
tors. eta vs tors. theta energy: -107.981
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: 322
Temperature: 1.050000
Total energy: -1267.703956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.703956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.703956 (E_RNA)
where:
Base-Base interactions energy: -892.290
where: short stacking energy: -371.098
Base-Backbone interact. energy: -1.031
local terms energy: -374.383249
where:
bonds (distance) C4'-P energy: -69.658
bonds (distance) P-C4' energy: -68.946
flat angles C4'-P-C4' energy: -79.838
flat angles P-C4'-P energy: -53.973
tors. eta vs tors. theta energy: -101.967
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: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1179.207331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.207331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.207331 (E_RNA)
where:
Base-Base interactions energy: -845.655
where: short stacking energy: -339.565
Base-Backbone interact. energy: -3.793
local terms energy: -329.759323
where:
bonds (distance) C4'-P energy: -61.124
bonds (distance) P-C4' energy: -57.273
flat angles C4'-P-C4' energy: -79.977
flat angles P-C4'-P energy: -38.648
tors. eta vs tors. theta energy: -92.737
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: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1165.355320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.355320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.355320 (E_RNA)
where:
Base-Base interactions energy: -804.492
where: short stacking energy: -356.578
Base-Backbone interact. energy: -1.470
local terms energy: -359.392822
where:
bonds (distance) C4'-P energy: -70.437
bonds (distance) P-C4' energy: -65.135
flat angles C4'-P-C4' energy: -78.081
flat angles P-C4'-P energy: -53.566
tors. eta vs tors. theta energy: -92.172
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: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1055.818978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.818978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.818978 (E_RNA)
where:
Base-Base interactions energy: -748.716
where: short stacking energy: -311.031
Base-Backbone interact. energy: -2.364
local terms energy: -304.738981
where:
bonds (distance) C4'-P energy: -61.495
bonds (distance) P-C4' energy: -54.361
flat angles C4'-P-C4' energy: -72.321
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -76.953
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: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -911.628396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.628396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.628396 (E_RNA)
where:
Base-Base interactions energy: -615.134
where: short stacking energy: -271.506
Base-Backbone interact. energy: -0.809
local terms energy: -295.685749
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -60.384
flat angles C4'-P-C4' energy: -67.176
flat angles P-C4'-P energy: -46.356
tors. eta vs tors. theta energy: -71.112
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: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -626.579542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.579542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.579542 (E_RNA)
where:
Base-Base interactions energy: -404.425
where: short stacking energy: -203.093
Base-Backbone interact. energy: 0.420
local terms energy: -222.574714
where:
bonds (distance) C4'-P energy: -56.432
bonds (distance) P-C4' energy: -64.739
flat angles C4'-P-C4' energy: -41.652
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -21.906
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: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -335.419928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.419928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.419928 (E_RNA)
where:
Base-Base interactions energy: -114.192
where: short stacking energy: -89.944
Base-Backbone interact. energy: -0.070
local terms energy: -221.157899
where:
bonds (distance) C4'-P energy: -60.067
bonds (distance) P-C4' energy: -60.844
flat angles C4'-P-C4' energy: -64.247
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: 5.496
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: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1469.019582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.019582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.019582 (E_RNA)
where:
Base-Base interactions energy: -1056.508
where: short stacking energy: -443.909
Base-Backbone interact. energy: -1.404
local terms energy: -411.107618
where:
bonds (distance) C4'-P energy: -75.029
bonds (distance) P-C4' energy: -75.377
flat angles C4'-P-C4' energy: -88.564
flat angles P-C4'-P energy: -56.750
tors. eta vs tors. theta energy: -115.388
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: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1364.448334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.448334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.448334 (E_RNA)
where:
Base-Base interactions energy: -984.077
where: short stacking energy: -397.341
Base-Backbone interact. energy: -2.094
local terms energy: -378.276841
where:
bonds (distance) C4'-P energy: -70.776
bonds (distance) P-C4' energy: -66.165
flat angles C4'-P-C4' energy: -81.334
flat angles P-C4'-P energy: -55.676
tors. eta vs tors. theta energy: -104.326
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: 3, replica: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1314.045742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.045742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.045742 (E_RNA)
where:
Base-Base interactions energy: -940.647
where: short stacking energy: -393.458
Base-Backbone interact. energy: -0.449
local terms energy: -372.949822
where:
bonds (distance) C4'-P energy: -70.327
bonds (distance) P-C4' energy: -63.122
flat angles C4'-P-C4' energy: -76.995
flat angles P-C4'-P energy: -50.139
tors. eta vs tors. theta energy: -112.367
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: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1224.661104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.661104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.661104 (E_RNA)
where:
Base-Base interactions energy: -858.350
where: short stacking energy: -348.019
Base-Backbone interact. energy: -1.626
local terms energy: -364.684706
where:
bonds (distance) C4'-P energy: -61.981
bonds (distance) P-C4' energy: -72.642
flat angles C4'-P-C4' energy: -81.873
flat angles P-C4'-P energy: -47.471
tors. eta vs tors. theta energy: -100.717
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: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1229.100505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.100505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.100505 (E_RNA)
where:
Base-Base interactions energy: -858.672
where: short stacking energy: -364.211
Base-Backbone interact. energy: 0.968
local terms energy: -371.396708
where:
bonds (distance) C4'-P energy: -57.932
bonds (distance) P-C4' energy: -76.530
flat angles C4'-P-C4' energy: -74.768
flat angles P-C4'-P energy: -58.276
tors. eta vs tors. theta energy: -103.891
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: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1151.566530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.566530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.566530 (E_RNA)
where:
Base-Base interactions energy: -813.986
where: short stacking energy: -344.528
Base-Backbone interact. energy: -0.781
local terms energy: -336.799324
where:
bonds (distance) C4'-P energy: -60.777
bonds (distance) P-C4' energy: -66.655
flat angles C4'-P-C4' energy: -75.837
flat angles P-C4'-P energy: -46.066
tors. eta vs tors. theta energy: -87.464
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: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1070.725235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.725235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.725235 (E_RNA)
where:
Base-Base interactions energy: -744.468
where: short stacking energy: -342.668
Base-Backbone interact. energy: -0.561
local terms energy: -325.696169
where:
bonds (distance) C4'-P energy: -58.314
bonds (distance) P-C4' energy: -73.366
flat angles C4'-P-C4' energy: -72.139
flat angles P-C4'-P energy: -38.313
tors. eta vs tors. theta energy: -83.564
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: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -926.173074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.173074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.173074 (E_RNA)
where:
Base-Base interactions energy: -623.785
where: short stacking energy: -282.430
Base-Backbone interact. energy: -1.544
local terms energy: -300.843903
where:
bonds (distance) C4'-P energy: -65.366
bonds (distance) P-C4' energy: -63.819
flat angles C4'-P-C4' energy: -59.744
flat angles P-C4'-P energy: -48.936
tors. eta vs tors. theta energy: -62.979
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: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -648.930132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.930132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.930132 (E_RNA)
where:
Base-Base interactions energy: -402.458
where: short stacking energy: -175.761
Base-Backbone interact. energy: -1.643
local terms energy: -244.829022
where:
bonds (distance) C4'-P energy: -63.257
bonds (distance) P-C4' energy: -66.960
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -36.519
tors. eta vs tors. theta energy: -19.244
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: 323
Temperature: 1.350000
Total energy: -325.943724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.943724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.943724 (E_RNA)
where:
Base-Base interactions energy: -117.648
where: short stacking energy: -87.504
Base-Backbone interact. energy: -1.259
local terms energy: -207.036116
where:
bonds (distance) C4'-P energy: -47.333
bonds (distance) P-C4' energy: -78.595
flat angles C4'-P-C4' energy: -57.208
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: 3.662
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: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1465.935767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.935767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.935767 (E_RNA)
where:
Base-Base interactions energy: -1066.739
where: short stacking energy: -430.177
Base-Backbone interact. energy: -1.389
local terms energy: -397.807354
where:
bonds (distance) C4'-P energy: -71.682
bonds (distance) P-C4' energy: -66.364
flat angles C4'-P-C4' energy: -87.083
flat angles P-C4'-P energy: -57.343
tors. eta vs tors. theta energy: -115.335
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: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1353.364122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.364122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.364122 (E_RNA)
where:
Base-Base interactions energy: -964.717
where: short stacking energy: -393.329
Base-Backbone interact. energy: -3.953
local terms energy: -384.694880
where:
bonds (distance) C4'-P energy: -70.166
bonds (distance) P-C4' energy: -74.322
flat angles C4'-P-C4' energy: -83.909
flat angles P-C4'-P energy: -52.742
tors. eta vs tors. theta energy: -103.555
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: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1294.697666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.697666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.697666 (E_RNA)
where:
Base-Base interactions energy: -924.945
where: short stacking energy: -393.861
Base-Backbone interact. energy: 1.646
local terms energy: -371.398699
where:
bonds (distance) C4'-P energy: -66.057
bonds (distance) P-C4' energy: -68.642
flat angles C4'-P-C4' energy: -75.762
flat angles P-C4'-P energy: -48.984
tors. eta vs tors. theta energy: -111.954
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: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1267.005562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.005562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.005562 (E_RNA)
where:
Base-Base interactions energy: -864.955
where: short stacking energy: -362.803
Base-Backbone interact. energy: -2.502
local terms energy: -399.548437
where:
bonds (distance) C4'-P energy: -69.281
bonds (distance) P-C4' energy: -83.128
flat angles C4'-P-C4' energy: -81.949
flat angles P-C4'-P energy: -63.526
tors. eta vs tors. theta energy: -101.665
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: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1194.163207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.163207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.163207 (E_RNA)
where:
Base-Base interactions energy: -845.413
where: short stacking energy: -360.417
Base-Backbone interact. energy: -1.141
local terms energy: -347.610009
where:
bonds (distance) C4'-P energy: -70.598
bonds (distance) P-C4' energy: -63.916
flat angles C4'-P-C4' energy: -71.193
flat angles P-C4'-P energy: -44.592
tors. eta vs tors. theta energy: -97.310
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: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1205.525495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.525495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.525495 (E_RNA)
where:
Base-Base interactions energy: -839.150
where: short stacking energy: -346.967
Base-Backbone interact. energy: 0.926
local terms energy: -367.301490
where:
bonds (distance) C4'-P energy: -71.660
bonds (distance) P-C4' energy: -75.872
flat angles C4'-P-C4' energy: -67.984
flat angles P-C4'-P energy: -47.684
tors. eta vs tors. theta energy: -104.100
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: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1064.393553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.393553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.393553 (E_RNA)
where:
Base-Base interactions energy: -736.440
where: short stacking energy: -322.048
Base-Backbone interact. energy: 4.000
local terms energy: -331.953938
where:
bonds (distance) C4'-P energy: -57.483
bonds (distance) P-C4' energy: -65.694
flat angles C4'-P-C4' energy: -75.290
flat angles P-C4'-P energy: -49.682
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: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -909.688002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.688002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.688002 (E_RNA)
where:
Base-Base interactions energy: -606.778
where: short stacking energy: -280.680
Base-Backbone interact. energy: 0.737
local terms energy: -303.647343
where:
bonds (distance) C4'-P energy: -56.585
bonds (distance) P-C4' energy: -61.943
flat angles C4'-P-C4' energy: -70.831
flat angles P-C4'-P energy: -44.228
tors. eta vs tors. theta energy: -70.061
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: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -628.371715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.371715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.371715 (E_RNA)
where:
Base-Base interactions energy: -384.444
where: short stacking energy: -183.506
Base-Backbone interact. energy: -2.197
local terms energy: -241.729920
where:
bonds (distance) C4'-P energy: -75.204
bonds (distance) P-C4' energy: -64.794
flat angles C4'-P-C4' energy: -44.890
flat angles P-C4'-P energy: -33.109
tors. eta vs tors. theta energy: -23.732
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: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -317.374779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.374779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.374779 (E_RNA)
where:
Base-Base interactions energy: -101.461
where: short stacking energy: -96.554
Base-Backbone interact. energy: 0.265
local terms energy: -216.178588
where:
bonds (distance) C4'-P energy: -63.514
bonds (distance) P-C4' energy: -66.165
flat angles C4'-P-C4' energy: -51.257
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -0.560
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: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1478.270772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.270772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.270772 (E_RNA)
where:
Base-Base interactions energy: -1069.143
where: short stacking energy: -430.262
Base-Backbone interact. energy: 1.773
local terms energy: -410.900798
where:
bonds (distance) C4'-P energy: -64.444
bonds (distance) P-C4' energy: -79.499
flat angles C4'-P-C4' energy: -87.636
flat angles P-C4'-P energy: -56.525
tors. eta vs tors. theta energy: -122.798
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: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1322.728824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.728824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.728824 (E_RNA)
where:
Base-Base interactions energy: -929.212
where: short stacking energy: -392.867
Base-Backbone interact. energy: -1.555
local terms energy: -391.962075
where:
bonds (distance) C4'-P energy: -79.939
bonds (distance) P-C4' energy: -71.409
flat angles C4'-P-C4' energy: -86.857
flat angles P-C4'-P energy: -51.284
tors. eta vs tors. theta energy: -102.473
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: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1349.970378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.970378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.970378 (E_RNA)
where:
Base-Base interactions energy: -967.869
where: short stacking energy: -384.250
Base-Backbone interact. energy: -0.746
local terms energy: -381.355203
where:
bonds (distance) C4'-P energy: -82.027
bonds (distance) P-C4' energy: -70.148
flat angles C4'-P-C4' energy: -84.230
flat angles P-C4'-P energy: -42.089
tors. eta vs tors. theta energy: -102.861
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: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1222.506593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.506593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.506593 (E_RNA)
where:
Base-Base interactions energy: -866.616
where: short stacking energy: -339.131
Base-Backbone interact. energy: -0.936
local terms energy: -354.954147
where:
bonds (distance) C4'-P energy: -71.482
bonds (distance) P-C4' energy: -77.257
flat angles C4'-P-C4' energy: -79.645
flat angles P-C4'-P energy: -38.680
tors. eta vs tors. theta energy: -87.890
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: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1179.016231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.016231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.016231 (E_RNA)
where:
Base-Base interactions energy: -850.245
where: short stacking energy: -365.227
Base-Backbone interact. energy: -0.084
local terms energy: -328.687516
where:
bonds (distance) C4'-P energy: -51.479
bonds (distance) P-C4' energy: -54.883
flat angles C4'-P-C4' energy: -72.479
flat angles P-C4'-P energy: -47.245
tors. eta vs tors. theta energy: -102.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1217.804756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.804756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.804756 (E_RNA)
where:
Base-Base interactions energy: -850.592
where: short stacking energy: -350.389
Base-Backbone interact. energy: -0.874
local terms energy: -366.339140
where:
bonds (distance) C4'-P energy: -68.904
bonds (distance) P-C4' energy: -70.429
flat angles C4'-P-C4' energy: -84.689
flat angles P-C4'-P energy: -46.566
tors. eta vs tors. theta energy: -95.751
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: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1095.938717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.938717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.938717 (E_RNA)
where:
Base-Base interactions energy: -735.649
where: short stacking energy: -322.320
Base-Backbone interact. energy: -2.278
local terms energy: -358.011428
where:
bonds (distance) C4'-P energy: -63.298
bonds (distance) P-C4' energy: -67.963
flat angles C4'-P-C4' energy: -79.056
flat angles P-C4'-P energy: -53.450
tors. eta vs tors. theta energy: -94.244
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: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -911.082105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.082105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.082105 (E_RNA)
where:
Base-Base interactions energy: -618.056
where: short stacking energy: -273.467
Base-Backbone interact. energy: -1.381
local terms energy: -291.645543
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -59.770
flat angles C4'-P-C4' energy: -69.684
flat angles P-C4'-P energy: -30.947
tors. eta vs tors. theta energy: -80.713
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: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -638.708731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.708731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.708731 (E_RNA)
where:
Base-Base interactions energy: -379.271
where: short stacking energy: -177.821
Base-Backbone interact. energy: -2.583
local terms energy: -256.854589
where:
bonds (distance) C4'-P energy: -68.487
bonds (distance) P-C4' energy: -70.429
flat angles C4'-P-C4' energy: -59.710
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -23.519
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: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -343.031942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.031942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.031942 (E_RNA)
where:
Base-Base interactions energy: -161.665
where: short stacking energy: -103.677
Base-Backbone interact. energy: -1.750
local terms energy: -179.616950
where:
bonds (distance) C4'-P energy: -46.852
bonds (distance) P-C4' energy: -56.953
flat angles C4'-P-C4' energy: -33.718
flat angles P-C4'-P energy: -38.440
tors. eta vs tors. theta energy: -3.654
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: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1469.961471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.961471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.961471 (E_RNA)
where:
Base-Base interactions energy: -1052.902
where: short stacking energy: -420.313
Base-Backbone interact. energy: -0.345
local terms energy: -416.714357
where:
bonds (distance) C4'-P energy: -79.661
bonds (distance) P-C4' energy: -76.709
flat angles C4'-P-C4' energy: -86.941
flat angles P-C4'-P energy: -59.846
tors. eta vs tors. theta energy: -113.558
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: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1338.576512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.576512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.576512 (E_RNA)
where:
Base-Base interactions energy: -958.212
where: short stacking energy: -415.326
Base-Backbone interact. energy: 0.338
local terms energy: -380.702765
where:
bonds (distance) C4'-P energy: -57.390
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -86.785
flat angles P-C4'-P energy: -57.354
tors. eta vs tors. theta energy: -111.301
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: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1325.062126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.062126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.062126 (E_RNA)
where:
Base-Base interactions energy: -953.724
where: short stacking energy: -392.751
Base-Backbone interact. energy: -0.784
local terms energy: -370.553930
where:
bonds (distance) C4'-P energy: -63.426
bonds (distance) P-C4' energy: -65.844
flat angles C4'-P-C4' energy: -85.829
flat angles P-C4'-P energy: -51.578
tors. eta vs tors. theta energy: -103.877
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: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1279.190353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.190353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.190353 (E_RNA)
where:
Base-Base interactions energy: -892.728
where: short stacking energy: -382.357
Base-Backbone interact. energy: 1.161
local terms energy: -387.623536
where:
bonds (distance) C4'-P energy: -76.402
bonds (distance) P-C4' energy: -75.654
flat angles C4'-P-C4' energy: -83.125
flat angles P-C4'-P energy: -46.709
tors. eta vs tors. theta energy: -105.733
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: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1255.853396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.853396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.853396 (E_RNA)
where:
Base-Base interactions energy: -871.653
where: short stacking energy: -355.285
Base-Backbone interact. energy: -0.547
local terms energy: -383.654123
where:
bonds (distance) C4'-P energy: -68.375
bonds (distance) P-C4' energy: -69.338
flat angles C4'-P-C4' energy: -80.672
flat angles P-C4'-P energy: -58.228
tors. eta vs tors. theta energy: -107.040
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: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1183.395577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.395577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.395577 (E_RNA)
where:
Base-Base interactions energy: -836.511
where: short stacking energy: -363.400
Base-Backbone interact. energy: -0.964
local terms energy: -345.920409
where:
bonds (distance) C4'-P energy: -60.195
bonds (distance) P-C4' energy: -65.373
flat angles C4'-P-C4' energy: -76.213
flat angles P-C4'-P energy: -41.977
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: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1102.891084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.891084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.891084 (E_RNA)
where:
Base-Base interactions energy: -764.762
where: short stacking energy: -320.198
Base-Backbone interact. energy: -0.809
local terms energy: -337.319848
where:
bonds (distance) C4'-P energy: -64.860
bonds (distance) P-C4' energy: -71.331
flat angles C4'-P-C4' energy: -75.382
flat angles P-C4'-P energy: -39.062
tors. eta vs tors. theta energy: -86.685
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: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -847.151283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.151283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.151283 (E_RNA)
where:
Base-Base interactions energy: -574.885
where: short stacking energy: -246.040
Base-Backbone interact. energy: 2.383
local terms energy: -274.649535
where:
bonds (distance) C4'-P energy: -61.149
bonds (distance) P-C4' energy: -56.256
flat angles C4'-P-C4' energy: -68.907
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -50.383
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: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -642.727415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.727415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.727415 (E_RNA)
where:
Base-Base interactions energy: -370.724
where: short stacking energy: -177.134
Base-Backbone interact. energy: -1.331
local terms energy: -270.672356
where:
bonds (distance) C4'-P energy: -54.211
bonds (distance) P-C4' energy: -67.960
flat angles C4'-P-C4' energy: -62.101
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: -42.378
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: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -325.406827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.406827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.406827 (E_RNA)
where:
Base-Base interactions energy: -136.222
where: short stacking energy: -110.774
Base-Backbone interact. energy: -1.747
local terms energy: -187.438208
where:
bonds (distance) C4'-P energy: -46.802
bonds (distance) P-C4' energy: -67.060
flat angles C4'-P-C4' energy: -37.899
flat angles P-C4'-P energy: -38.303
tors. eta vs tors. theta energy: 2.625
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: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1485.742048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.742048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.742048 (E_RNA)
where:
Base-Base interactions energy: -1070.430
where: short stacking energy: -433.779
Base-Backbone interact. energy: 0.408
local terms energy: -415.720115
where:
bonds (distance) C4'-P energy: -80.086
bonds (distance) P-C4' energy: -70.152
flat angles C4'-P-C4' energy: -84.271
flat angles P-C4'-P energy: -55.439
tors. eta vs tors. theta energy: -125.772
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: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1315.396775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.396775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.396775 (E_RNA)
where:
Base-Base interactions energy: -911.125
where: short stacking energy: -403.891
Base-Backbone interact. energy: -0.776
local terms energy: -403.496404
where:
bonds (distance) C4'-P energy: -78.961
bonds (distance) P-C4' energy: -81.232
flat angles C4'-P-C4' energy: -75.164
flat angles P-C4'-P energy: -57.993
tors. eta vs tors. theta energy: -110.147
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: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1344.752842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.752842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.752842 (E_RNA)
where:
Base-Base interactions energy: -952.075
where: short stacking energy: -389.491
Base-Backbone interact. energy: -2.857
local terms energy: -389.821623
where:
bonds (distance) C4'-P energy: -75.464
bonds (distance) P-C4' energy: -72.057
flat angles C4'-P-C4' energy: -78.427
flat angles P-C4'-P energy: -57.731
tors. eta vs tors. theta energy: -106.143
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: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1283.008045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.008045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.008045 (E_RNA)
where:
Base-Base interactions energy: -900.763
where: short stacking energy: -374.829
Base-Backbone interact. energy: -1.098
local terms energy: -381.146955
where:
bonds (distance) C4'-P energy: -70.564
bonds (distance) P-C4' energy: -74.548
flat angles C4'-P-C4' energy: -78.893
flat angles P-C4'-P energy: -54.083
tors. eta vs tors. theta energy: -103.059
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: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1229.314098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.314098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.314098 (E_RNA)
where:
Base-Base interactions energy: -852.761
where: short stacking energy: -349.341
Base-Backbone interact. energy: -1.213
local terms energy: -375.340176
where:
bonds (distance) C4'-P energy: -72.852
bonds (distance) P-C4' energy: -67.131
flat angles C4'-P-C4' energy: -81.742
flat angles P-C4'-P energy: -54.319
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: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1152.141489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.141489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.141489 (E_RNA)
where:
Base-Base interactions energy: -810.368
where: short stacking energy: -348.381
Base-Backbone interact. energy: -0.825
local terms energy: -340.948545
where:
bonds (distance) C4'-P energy: -55.331
bonds (distance) P-C4' energy: -58.503
flat angles C4'-P-C4' energy: -78.928
flat angles P-C4'-P energy: -51.859
tors. eta vs tors. theta energy: -96.328
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: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1060.600327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.600327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.600327 (E_RNA)
where:
Base-Base interactions energy: -769.790
where: short stacking energy: -314.533
Base-Backbone interact. energy: 3.082
local terms energy: -293.892543
where:
bonds (distance) C4'-P energy: -49.624
bonds (distance) P-C4' energy: -61.952
flat angles C4'-P-C4' energy: -70.317
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -87.350
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: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -881.481719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.481719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.481719 (E_RNA)
where:
Base-Base interactions energy: -584.240
where: short stacking energy: -265.517
Base-Backbone interact. energy: -2.038
local terms energy: -295.203632
where:
bonds (distance) C4'-P energy: -65.309
bonds (distance) P-C4' energy: -67.054
flat angles C4'-P-C4' energy: -68.076
flat angles P-C4'-P energy: -32.554
tors. eta vs tors. theta energy: -62.210
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: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -615.311123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.311123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.311123 (E_RNA)
where:
Base-Base interactions energy: -371.718
where: short stacking energy: -165.584
Base-Backbone interact. energy: -0.713
local terms energy: -242.879429
where:
bonds (distance) C4'-P energy: -60.948
bonds (distance) P-C4' energy: -63.612
flat angles C4'-P-C4' energy: -64.355
flat angles P-C4'-P energy: -30.230
tors. eta vs tors. theta energy: -23.735
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: 327
Temperature: 1.350000
Total energy: -345.175472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.175472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.175472 (E_RNA)
where:
Base-Base interactions energy: -140.828
where: short stacking energy: -114.485
Base-Backbone interact. energy: -2.545
local terms energy: -201.802860
where:
bonds (distance) C4'-P energy: -62.424
bonds (distance) P-C4' energy: -63.129
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: 1.257
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: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1489.356827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.356827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.356827 (E_RNA)
where:
Base-Base interactions energy: -1061.494
where: short stacking energy: -431.243
Base-Backbone interact. energy: 0.113
local terms energy: -427.975209
where:
bonds (distance) C4'-P energy: -80.491
bonds (distance) P-C4' energy: -78.761
flat angles C4'-P-C4' energy: -85.392
flat angles P-C4'-P energy: -63.491
tors. eta vs tors. theta energy: -119.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1323.087646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.087646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.087646 (E_RNA)
where:
Base-Base interactions energy: -921.673
where: short stacking energy: -394.047
Base-Backbone interact. energy: -0.341
local terms energy: -401.072984
where:
bonds (distance) C4'-P energy: -69.651
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -85.533
flat angles P-C4'-P energy: -60.346
tors. eta vs tors. theta energy: -112.392
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: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1334.903982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.903982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.903982 (E_RNA)
where:
Base-Base interactions energy: -966.986
where: short stacking energy: -401.805
Base-Backbone interact. energy: -1.221
local terms energy: -366.696732
where:
bonds (distance) C4'-P energy: -67.370
bonds (distance) P-C4' energy: -68.499
flat angles C4'-P-C4' energy: -76.467
flat angles P-C4'-P energy: -50.392
tors. eta vs tors. theta energy: -103.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1281.110239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.110239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.110239 (E_RNA)
where:
Base-Base interactions energy: -902.384
where: short stacking energy: -392.178
Base-Backbone interact. energy: -0.835
local terms energy: -377.891147
where:
bonds (distance) C4'-P energy: -75.379
bonds (distance) P-C4' energy: -68.135
flat angles C4'-P-C4' energy: -77.256
flat angles P-C4'-P energy: -53.035
tors. eta vs tors. theta energy: -104.087
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: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1206.645692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.645692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.645692 (E_RNA)
where:
Base-Base interactions energy: -854.589
where: short stacking energy: -356.922
Base-Backbone interact. energy: 0.036
local terms energy: -352.092459
where:
bonds (distance) C4'-P energy: -70.812
bonds (distance) P-C4' energy: -69.444
flat angles C4'-P-C4' energy: -67.428
flat angles P-C4'-P energy: -54.065
tors. eta vs tors. theta energy: -90.343
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: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1192.457130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.457130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.457130 (E_RNA)
where:
Base-Base interactions energy: -828.442
where: short stacking energy: -361.913
Base-Backbone interact. energy: -0.557
local terms energy: -363.457919
where:
bonds (distance) C4'-P energy: -64.129
bonds (distance) P-C4' energy: -69.908
flat angles C4'-P-C4' energy: -83.269
flat angles P-C4'-P energy: -48.456
tors. eta vs tors. theta energy: -97.696
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: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1093.116476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.116476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.116476 (E_RNA)
where:
Base-Base interactions energy: -772.497
where: short stacking energy: -333.593
Base-Backbone interact. energy: 1.144
local terms energy: -321.763591
where:
bonds (distance) C4'-P energy: -57.962
bonds (distance) P-C4' energy: -61.268
flat angles C4'-P-C4' energy: -67.835
flat angles P-C4'-P energy: -44.872
tors. eta vs tors. theta energy: -89.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -912.290201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.290201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.290201 (E_RNA)
where:
Base-Base interactions energy: -642.658
where: short stacking energy: -288.532
Base-Backbone interact. energy: -3.511
local terms energy: -266.120838
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -63.840
flat angles P-C4'-P energy: -38.357
tors. eta vs tors. theta energy: -67.206
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: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -637.692366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.692366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.692366 (E_RNA)
where:
Base-Base interactions energy: -385.609
where: short stacking energy: -203.031
Base-Backbone interact. energy: -2.131
local terms energy: -249.952324
where:
bonds (distance) C4'-P energy: -53.425
bonds (distance) P-C4' energy: -57.419
flat angles C4'-P-C4' energy: -61.447
flat angles P-C4'-P energy: -46.860
tors. eta vs tors. theta energy: -30.801
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: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -337.925395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.925395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.925395 (E_RNA)
where:
Base-Base interactions energy: -155.936
where: short stacking energy: -107.057
Base-Backbone interact. energy: -0.851
local terms energy: -181.138043
where:
bonds (distance) C4'-P energy: -41.493
bonds (distance) P-C4' energy: -70.036
flat angles C4'-P-C4' energy: -55.471
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: 6.082
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: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1476.758662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.758662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.758662 (E_RNA)
where:
Base-Base interactions energy: -1069.132
where: short stacking energy: -425.988
Base-Backbone interact. energy: 0.626
local terms energy: -408.252472
where:
bonds (distance) C4'-P energy: -74.649
bonds (distance) P-C4' energy: -82.307
flat angles C4'-P-C4' energy: -82.054
flat angles P-C4'-P energy: -54.442
tors. eta vs tors. theta energy: -114.801
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: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1330.315891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.315891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.315891 (E_RNA)
where:
Base-Base interactions energy: -939.014
where: short stacking energy: -385.585
Base-Backbone interact. energy: -0.872
local terms energy: -390.429669
where:
bonds (distance) C4'-P energy: -77.708
bonds (distance) P-C4' energy: -68.068
flat angles C4'-P-C4' energy: -85.812
flat angles P-C4'-P energy: -54.329
tors. eta vs tors. theta energy: -104.513
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: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1313.298779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.298779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.298779 (E_RNA)
where:
Base-Base interactions energy: -948.979
where: short stacking energy: -377.080
Base-Backbone interact. energy: 0.350
local terms energy: -364.670160
where:
bonds (distance) C4'-P energy: -66.681
bonds (distance) P-C4' energy: -79.632
flat angles C4'-P-C4' energy: -77.788
flat angles P-C4'-P energy: -46.123
tors. eta vs tors. theta energy: -94.447
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: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1273.960518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.960518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.960518 (E_RNA)
where:
Base-Base interactions energy: -889.055
where: short stacking energy: -372.990
Base-Backbone interact. energy: -3.460
local terms energy: -381.445693
where:
bonds (distance) C4'-P energy: -69.073
bonds (distance) P-C4' energy: -73.173
flat angles C4'-P-C4' energy: -72.844
flat angles P-C4'-P energy: -60.861
tors. eta vs tors. theta energy: -105.496
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: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1229.118259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.118259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.118259 (E_RNA)
where:
Base-Base interactions energy: -868.027
where: short stacking energy: -368.870
Base-Backbone interact. energy: -2.142
local terms energy: -358.949890
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -76.903
flat angles C4'-P-C4' energy: -68.744
flat angles P-C4'-P energy: -48.460
tors. eta vs tors. theta energy: -105.154
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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1152.908732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.908732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.908732 (E_RNA)
where:
Base-Base interactions energy: -803.408
where: short stacking energy: -352.616
Base-Backbone interact. energy: -1.027
local terms energy: -348.474026
where:
bonds (distance) C4'-P energy: -60.983
bonds (distance) P-C4' energy: -68.516
flat angles C4'-P-C4' energy: -77.940
flat angles P-C4'-P energy: -48.564
tors. eta vs tors. theta energy: -92.471
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: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1085.370486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.370486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.370486 (E_RNA)
where:
Base-Base interactions energy: -748.608
where: short stacking energy: -330.323
Base-Backbone interact. energy: -1.268
local terms energy: -335.495111
where:
bonds (distance) C4'-P energy: -58.140
bonds (distance) P-C4' energy: -70.727
flat angles C4'-P-C4' energy: -72.463
flat angles P-C4'-P energy: -46.821
tors. eta vs tors. theta energy: -87.344
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: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -933.781701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.781701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.781701 (E_RNA)
where:
Base-Base interactions energy: -624.647
where: short stacking energy: -276.967
Base-Backbone interact. energy: 1.809
local terms energy: -310.943872
where:
bonds (distance) C4'-P energy: -63.277
bonds (distance) P-C4' energy: -61.222
flat angles C4'-P-C4' energy: -76.388
flat angles P-C4'-P energy: -42.804
tors. eta vs tors. theta energy: -67.252
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: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -594.392503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.392503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.392503 (E_RNA)
where:
Base-Base interactions energy: -340.704
where: short stacking energy: -175.343
Base-Backbone interact. energy: -1.581
local terms energy: -252.107759
where:
bonds (distance) C4'-P energy: -54.684
bonds (distance) P-C4' energy: -61.674
flat angles C4'-P-C4' energy: -63.215
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -29.781
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: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -341.358119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.358119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.358119 (E_RNA)
where:
Base-Base interactions energy: -152.361
where: short stacking energy: -111.896
Base-Backbone interact. energy: -0.325
local terms energy: -188.671556
where:
bonds (distance) C4'-P energy: -53.213
bonds (distance) P-C4' energy: -66.538
flat angles C4'-P-C4' energy: -31.233
flat angles P-C4'-P energy: -39.194
tors. eta vs tors. theta energy: 1.507
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: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1479.990476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.990476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.990476 (E_RNA)
where:
Base-Base interactions energy: -1059.939
where: short stacking energy: -429.234
Base-Backbone interact. energy: -1.177
local terms energy: -418.875273
where:
bonds (distance) C4'-P energy: -71.642
bonds (distance) P-C4' energy: -78.698
flat angles C4'-P-C4' energy: -89.258
flat angles P-C4'-P energy: -59.778
tors. eta vs tors. theta energy: -119.499
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: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1335.461258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.461258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.461258 (E_RNA)
where:
Base-Base interactions energy: -951.802
where: short stacking energy: -396.246
Base-Backbone interact. energy: -1.778
local terms energy: -381.880726
where:
bonds (distance) C4'-P energy: -64.366
bonds (distance) P-C4' energy: -64.053
flat angles C4'-P-C4' energy: -83.116
flat angles P-C4'-P energy: -59.254
tors. eta vs tors. theta energy: -111.093
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: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1366.151423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.151423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.151423 (E_RNA)
where:
Base-Base interactions energy: -985.016
where: short stacking energy: -383.987
Base-Backbone interact. energy: 4.579
local terms energy: -385.713897
where:
bonds (distance) C4'-P energy: -73.318
bonds (distance) P-C4' energy: -68.570
flat angles C4'-P-C4' energy: -79.622
flat angles P-C4'-P energy: -53.217
tors. eta vs tors. theta energy: -110.987
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: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1249.865192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.865192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.865192 (E_RNA)
where:
Base-Base interactions energy: -880.933
where: short stacking energy: -381.856
Base-Backbone interact. energy: -1.207
local terms energy: -367.725290
where:
bonds (distance) C4'-P energy: -65.386
bonds (distance) P-C4' energy: -67.362
flat angles C4'-P-C4' energy: -80.080
flat angles P-C4'-P energy: -51.904
tors. eta vs tors. theta energy: -102.994
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: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1186.636389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.636389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.636389 (E_RNA)
where:
Base-Base interactions energy: -830.253
where: short stacking energy: -344.364
Base-Backbone interact. energy: -3.070
local terms energy: -353.313346
where:
bonds (distance) C4'-P energy: -59.237
bonds (distance) P-C4' energy: -70.391
flat angles C4'-P-C4' energy: -85.072
flat angles P-C4'-P energy: -53.622
tors. eta vs tors. theta energy: -84.992
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: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1156.979063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.979063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.979063 (E_RNA)
where:
Base-Base interactions energy: -808.896
where: short stacking energy: -336.114
Base-Backbone interact. energy: 0.654
local terms energy: -348.737142
where:
bonds (distance) C4'-P energy: -57.844
bonds (distance) P-C4' energy: -61.534
flat angles C4'-P-C4' energy: -81.766
flat angles P-C4'-P energy: -51.179
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: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1075.579397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.579397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.579397 (E_RNA)
where:
Base-Base interactions energy: -755.665
where: short stacking energy: -322.114
Base-Backbone interact. energy: -1.621
local terms energy: -318.293506
where:
bonds (distance) C4'-P energy: -62.900
bonds (distance) P-C4' energy: -49.958
flat angles C4'-P-C4' energy: -76.233
flat angles P-C4'-P energy: -46.228
tors. eta vs tors. theta energy: -82.975
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: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -912.913653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.913653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.913653 (E_RNA)
where:
Base-Base interactions energy: -629.349
where: short stacking energy: -272.076
Base-Backbone interact. energy: 0.589
local terms energy: -284.153808
where:
bonds (distance) C4'-P energy: -38.368
bonds (distance) P-C4' energy: -61.505
flat angles C4'-P-C4' energy: -63.311
flat angles P-C4'-P energy: -58.169
tors. eta vs tors. theta energy: -62.802
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: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -598.270466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.270466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.270466 (E_RNA)
where:
Base-Base interactions energy: -365.889
where: short stacking energy: -177.540
Base-Backbone interact. energy: -0.695
local terms energy: -231.685743
where:
bonds (distance) C4'-P energy: -54.556
bonds (distance) P-C4' energy: -62.807
flat angles C4'-P-C4' energy: -41.783
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -24.227
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -310.872175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.872175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.872175 (E_RNA)
where:
Base-Base interactions energy: -119.851
where: short stacking energy: -112.648
Base-Backbone interact. energy: -1.216
local terms energy: -189.805089
where:
bonds (distance) C4'-P energy: -55.723
bonds (distance) P-C4' energy: -63.244
flat angles C4'-P-C4' energy: -47.842
flat angles P-C4'-P energy: -32.049
tors. eta vs tors. theta energy: 9.052
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: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1473.114429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.114429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.114429 (E_RNA)
where:
Base-Base interactions energy: -1059.110
where: short stacking energy: -427.920
Base-Backbone interact. energy: -0.356
local terms energy: -413.648022
where:
bonds (distance) C4'-P energy: -68.018
bonds (distance) P-C4' energy: -80.800
flat angles C4'-P-C4' energy: -84.751
flat angles P-C4'-P energy: -60.067
tors. eta vs tors. theta energy: -120.012
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: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1361.209194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.209194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.209194 (E_RNA)
where:
Base-Base interactions energy: -956.811
where: short stacking energy: -394.800
Base-Backbone interact. energy: -1.583
local terms energy: -402.814639
where:
bonds (distance) C4'-P energy: -75.053
bonds (distance) P-C4' energy: -69.866
flat angles C4'-P-C4' energy: -85.011
flat angles P-C4'-P energy: -57.197
tors. eta vs tors. theta energy: -115.686
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: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1363.050745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.050745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.050745 (E_RNA)
where:
Base-Base interactions energy: -981.930
where: short stacking energy: -391.536
Base-Backbone interact. energy: -2.470
local terms energy: -378.649955
where:
bonds (distance) C4'-P energy: -77.096
bonds (distance) P-C4' energy: -77.239
flat angles C4'-P-C4' energy: -72.267
flat angles P-C4'-P energy: -49.886
tors. eta vs tors. theta energy: -102.162
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: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1260.087422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.087422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.087422 (E_RNA)
where:
Base-Base interactions energy: -878.466
where: short stacking energy: -358.582
Base-Backbone interact. energy: 0.090
local terms energy: -381.711443
where:
bonds (distance) C4'-P energy: -69.084
bonds (distance) P-C4' energy: -68.178
flat angles C4'-P-C4' energy: -80.681
flat angles P-C4'-P energy: -55.356
tors. eta vs tors. theta energy: -108.413
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: 331
Temperature: 1.100000
Total energy: -1193.629537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.629537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.629537 (E_RNA)
where:
Base-Base interactions energy: -840.618
where: short stacking energy: -360.887
Base-Backbone interact. energy: -1.996
local terms energy: -351.016099
where:
bonds (distance) C4'-P energy: -59.061
bonds (distance) P-C4' energy: -73.485
flat angles C4'-P-C4' energy: -80.980
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -93.327
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: 331
Temperature: 1.150000
Total energy: -1181.604864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.604864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.604864 (E_RNA)
where:
Base-Base interactions energy: -835.193
where: short stacking energy: -355.971
Base-Backbone interact. energy: -1.254
local terms energy: -345.157617
where:
bonds (distance) C4'-P energy: -62.057
bonds (distance) P-C4' energy: -61.687
flat angles C4'-P-C4' energy: -79.239
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -102.824
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: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1061.318038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.318038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.318038 (E_RNA)
where:
Base-Base interactions energy: -752.047
where: short stacking energy: -331.929
Base-Backbone interact. energy: 0.611
local terms energy: -309.882580
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -71.853
flat angles C4'-P-C4' energy: -61.261
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -85.260
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: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -959.464472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.464472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.464472 (E_RNA)
where:
Base-Base interactions energy: -655.035
where: short stacking energy: -277.937
Base-Backbone interact. energy: 0.858
local terms energy: -305.287899
where:
bonds (distance) C4'-P energy: -55.598
bonds (distance) P-C4' energy: -68.575
flat angles C4'-P-C4' energy: -70.179
flat angles P-C4'-P energy: -39.262
tors. eta vs tors. theta energy: -71.674
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: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -619.874483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.874483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.874483 (E_RNA)
where:
Base-Base interactions energy: -391.722
where: short stacking energy: -180.872
Base-Backbone interact. energy: -1.193
local terms energy: -226.959627
where:
bonds (distance) C4'-P energy: -38.283
bonds (distance) P-C4' energy: -59.629
flat angles C4'-P-C4' energy: -55.354
flat angles P-C4'-P energy: -32.409
tors. eta vs tors. theta energy: -41.284
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: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -305.364542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.364542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.364542 (E_RNA)
where:
Base-Base interactions energy: -129.602
where: short stacking energy: -101.549
Base-Backbone interact. energy: 1.842
local terms energy: -177.604666
where:
bonds (distance) C4'-P energy: -59.996
bonds (distance) P-C4' energy: -66.546
flat angles C4'-P-C4' energy: -44.051
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: 10.353
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: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1477.702415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.702415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.702415 (E_RNA)
where:
Base-Base interactions energy: -1055.145
where: short stacking energy: -417.224
Base-Backbone interact. energy: -0.409
local terms energy: -422.148723
where:
bonds (distance) C4'-P energy: -82.001
bonds (distance) P-C4' energy: -76.074
flat angles C4'-P-C4' energy: -89.215
flat angles P-C4'-P energy: -55.160
tors. eta vs tors. theta energy: -119.698
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: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1357.960875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.960875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.960875 (E_RNA)
where:
Base-Base interactions energy: -957.295
where: short stacking energy: -396.087
Base-Backbone interact. energy: 2.140
local terms energy: -402.805748
where:
bonds (distance) C4'-P energy: -71.793
bonds (distance) P-C4' energy: -62.005
flat angles C4'-P-C4' energy: -84.836
flat angles P-C4'-P energy: -68.461
tors. eta vs tors. theta energy: -115.711
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: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1360.340097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.340097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.340097 (E_RNA)
where:
Base-Base interactions energy: -969.145
where: short stacking energy: -387.685
Base-Backbone interact. energy: -1.980
local terms energy: -389.215454
where:
bonds (distance) C4'-P energy: -62.665
bonds (distance) P-C4' energy: -76.211
flat angles C4'-P-C4' energy: -83.566
flat angles P-C4'-P energy: -56.424
tors. eta vs tors. theta energy: -110.350
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: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1273.888122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.888122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.888122 (E_RNA)
where:
Base-Base interactions energy: -887.822
where: short stacking energy: -390.481
Base-Backbone interact. energy: -0.718
local terms energy: -385.348060
where:
bonds (distance) C4'-P energy: -59.159
bonds (distance) P-C4' energy: -67.897
flat angles C4'-P-C4' energy: -86.432
flat angles P-C4'-P energy: -60.105
tors. eta vs tors. theta energy: -111.755
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: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1164.752947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.752947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.752947 (E_RNA)
where:
Base-Base interactions energy: -832.301
where: short stacking energy: -336.994
Base-Backbone interact. energy: -2.532
local terms energy: -329.919389
where:
bonds (distance) C4'-P energy: -66.301
bonds (distance) P-C4' energy: -58.268
flat angles C4'-P-C4' energy: -67.782
flat angles P-C4'-P energy: -58.355
tors. eta vs tors. theta energy: -79.213
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: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1169.487070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.487070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.487070 (E_RNA)
where:
Base-Base interactions energy: -826.043
where: short stacking energy: -341.671
Base-Backbone interact. energy: 0.320
local terms energy: -343.764327
where:
bonds (distance) C4'-P energy: -55.000
bonds (distance) P-C4' energy: -66.394
flat angles C4'-P-C4' energy: -75.813
flat angles P-C4'-P energy: -55.041
tors. eta vs tors. theta energy: -91.516
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: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1066.871584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.871584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.871584 (E_RNA)
where:
Base-Base interactions energy: -731.573
where: short stacking energy: -331.458
Base-Backbone interact. energy: 0.587
local terms energy: -335.885263
where:
bonds (distance) C4'-P energy: -69.630
bonds (distance) P-C4' energy: -65.972
flat angles C4'-P-C4' energy: -78.500
flat angles P-C4'-P energy: -32.331
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: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -965.477447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.477447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.477447 (E_RNA)
where:
Base-Base interactions energy: -682.108
where: short stacking energy: -287.963
Base-Backbone interact. energy: -1.428
local terms energy: -281.941581
where:
bonds (distance) C4'-P energy: -49.478
bonds (distance) P-C4' energy: -52.907
flat angles C4'-P-C4' energy: -68.042
flat angles P-C4'-P energy: -41.773
tors. eta vs tors. theta energy: -69.740
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: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -631.728408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.728408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.728408 (E_RNA)
where:
Base-Base interactions energy: -409.644
where: short stacking energy: -167.872
Base-Backbone interact. energy: 3.641
local terms energy: -225.725840
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -62.464
flat angles C4'-P-C4' energy: -59.199
flat angles P-C4'-P energy: -36.568
tors. eta vs tors. theta energy: -20.685
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: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -391.919393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.919393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.919393 (E_RNA)
where:
Base-Base interactions energy: -195.173
where: short stacking energy: -96.224
Base-Backbone interact. energy: 2.956
local terms energy: -199.702284
where:
bonds (distance) C4'-P energy: -50.911
bonds (distance) P-C4' energy: -69.282
flat angles C4'-P-C4' energy: -52.452
flat angles P-C4'-P energy: -38.323
tors. eta vs tors. theta energy: 11.267
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: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1489.369036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.369036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.369036 (E_RNA)
where:
Base-Base interactions energy: -1060.153
where: short stacking energy: -440.839
Base-Backbone interact. energy: -0.015
local terms energy: -429.201066
where:
bonds (distance) C4'-P energy: -84.063
bonds (distance) P-C4' energy: -75.467
flat angles C4'-P-C4' energy: -86.775
flat angles P-C4'-P energy: -61.997
tors. eta vs tors. theta energy: -120.900
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: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1366.102825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.102825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.102825 (E_RNA)
where:
Base-Base interactions energy: -956.399
where: short stacking energy: -422.149
Base-Backbone interact. energy: 0.441
local terms energy: -410.144478
where:
bonds (distance) C4'-P energy: -70.570
bonds (distance) P-C4' energy: -86.197
flat angles C4'-P-C4' energy: -85.463
flat angles P-C4'-P energy: -52.127
tors. eta vs tors. theta energy: -115.788
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: 3, replica: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1334.069710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.069710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.069710 (E_RNA)
where:
Base-Base interactions energy: -951.383
where: short stacking energy: -370.848
Base-Backbone interact. energy: -2.859
local terms energy: -379.826828
where:
bonds (distance) C4'-P energy: -61.049
bonds (distance) P-C4' energy: -76.740
flat angles C4'-P-C4' energy: -81.702
flat angles P-C4'-P energy: -56.986
tors. eta vs tors. theta energy: -103.349
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: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1263.696453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.696453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.696453 (E_RNA)
where:
Base-Base interactions energy: -892.214
where: short stacking energy: -366.713
Base-Backbone interact. energy: 1.114
local terms energy: -372.596234
where:
bonds (distance) C4'-P energy: -73.679
bonds (distance) P-C4' energy: -74.554
flat angles C4'-P-C4' energy: -64.934
flat angles P-C4'-P energy: -55.450
tors. eta vs tors. theta energy: -103.981
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: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1204.720303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.720303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.720303 (E_RNA)
where:
Base-Base interactions energy: -856.255
where: short stacking energy: -372.443
Base-Backbone interact. energy: -0.683
local terms energy: -347.782403
where:
bonds (distance) C4'-P energy: -67.223
bonds (distance) P-C4' energy: -59.792
flat angles C4'-P-C4' energy: -83.420
flat angles P-C4'-P energy: -36.110
tors. eta vs tors. theta energy: -101.238
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: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1156.393239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.393239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.393239 (E_RNA)
where:
Base-Base interactions energy: -807.846
where: short stacking energy: -346.272
Base-Backbone interact. energy: -1.271
local terms energy: -347.276477
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -57.151
flat angles C4'-P-C4' energy: -74.668
flat angles P-C4'-P energy: -59.167
tors. eta vs tors. theta energy: -93.720
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: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1045.323397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.323397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.323397 (E_RNA)
where:
Base-Base interactions energy: -733.685
where: short stacking energy: -317.767
Base-Backbone interact. energy: -1.090
local terms energy: -310.548581
where:
bonds (distance) C4'-P energy: -50.458
bonds (distance) P-C4' energy: -61.620
flat angles C4'-P-C4' energy: -67.872
flat angles P-C4'-P energy: -52.175
tors. eta vs tors. theta energy: -78.424
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: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -943.320502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.320502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.320502 (E_RNA)
where:
Base-Base interactions energy: -626.876
where: short stacking energy: -283.154
Base-Backbone interact. energy: -0.863
local terms energy: -315.582103
where:
bonds (distance) C4'-P energy: -60.230
bonds (distance) P-C4' energy: -66.296
flat angles C4'-P-C4' energy: -70.090
flat angles P-C4'-P energy: -47.384
tors. eta vs tors. theta energy: -71.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -654.163185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.163185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.163185 (E_RNA)
where:
Base-Base interactions energy: -417.396
where: short stacking energy: -179.880
Base-Backbone interact. energy: -1.083
local terms energy: -235.683915
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -67.629
flat angles C4'-P-C4' energy: -55.373
flat angles P-C4'-P energy: -42.692
tors. eta vs tors. theta energy: -19.536
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: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -409.536361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.536361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.536361 (E_RNA)
where:
Base-Base interactions energy: -194.925
where: short stacking energy: -119.761
Base-Backbone interact. energy: 1.239
local terms energy: -215.850827
where:
bonds (distance) C4'-P energy: -72.198
bonds (distance) P-C4' energy: -50.828
flat angles C4'-P-C4' energy: -56.238
flat angles P-C4'-P energy: -31.047
tors. eta vs tors. theta energy: -5.541
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: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1478.273602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.273602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.273602 (E_RNA)
where:
Base-Base interactions energy: -1054.607
where: short stacking energy: -422.918
Base-Backbone interact. energy: -0.079
local terms energy: -423.587994
where:
bonds (distance) C4'-P energy: -80.071
bonds (distance) P-C4' energy: -73.792
flat angles C4'-P-C4' energy: -88.669
flat angles P-C4'-P energy: -57.603
tors. eta vs tors. theta energy: -123.453
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: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1352.100465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.100465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.100465 (E_RNA)
where:
Base-Base interactions energy: -942.944
where: short stacking energy: -402.401
Base-Backbone interact. energy: -1.537
local terms energy: -407.618837
where:
bonds (distance) C4'-P energy: -72.142
bonds (distance) P-C4' energy: -73.669
flat angles C4'-P-C4' energy: -89.959
flat angles P-C4'-P energy: -59.885
tors. eta vs tors. theta energy: -111.964
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: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1332.169145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.169145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.169145 (E_RNA)
where:
Base-Base interactions energy: -947.872
where: short stacking energy: -370.689
Base-Backbone interact. energy: -0.955
local terms energy: -383.341805
where:
bonds (distance) C4'-P energy: -78.668
bonds (distance) P-C4' energy: -66.045
flat angles C4'-P-C4' energy: -79.884
flat angles P-C4'-P energy: -60.988
tors. eta vs tors. theta energy: -97.756
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: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1264.415702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.415702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.415702 (E_RNA)
where:
Base-Base interactions energy: -897.578
where: short stacking energy: -393.370
Base-Backbone interact. energy: -1.612
local terms energy: -365.225130
where:
bonds (distance) C4'-P energy: -63.241
bonds (distance) P-C4' energy: -65.337
flat angles C4'-P-C4' energy: -81.186
flat angles P-C4'-P energy: -48.018
tors. eta vs tors. theta energy: -107.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1182.232594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.232594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.232594 (E_RNA)
where:
Base-Base interactions energy: -820.927
where: short stacking energy: -357.892
Base-Backbone interact. energy: -0.381
local terms energy: -360.924442
where:
bonds (distance) C4'-P energy: -63.378
bonds (distance) P-C4' energy: -72.289
flat angles C4'-P-C4' energy: -81.393
flat angles P-C4'-P energy: -47.215
tors. eta vs tors. theta energy: -96.650
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: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1183.372035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.372035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.372035 (E_RNA)
where:
Base-Base interactions energy: -822.781
where: short stacking energy: -352.560
Base-Backbone interact. energy: -1.596
local terms energy: -358.995034
where:
bonds (distance) C4'-P energy: -59.723
bonds (distance) P-C4' energy: -70.099
flat angles C4'-P-C4' energy: -76.992
flat angles P-C4'-P energy: -50.174
tors. eta vs tors. theta energy: -102.007
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: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1072.513517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.513517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.513517 (E_RNA)
where:
Base-Base interactions energy: -758.395
where: short stacking energy: -337.235
Base-Backbone interact. energy: -1.765
local terms energy: -312.353364
where:
bonds (distance) C4'-P energy: -58.393
bonds (distance) P-C4' energy: -56.289
flat angles C4'-P-C4' energy: -69.655
flat angles P-C4'-P energy: -37.675
tors. eta vs tors. theta energy: -90.341
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: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -920.501351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.501351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.501351 (E_RNA)
where:
Base-Base interactions energy: -645.446
where: short stacking energy: -279.025
Base-Backbone interact. energy: -1.838
local terms energy: -273.217184
where:
bonds (distance) C4'-P energy: -51.362
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -62.818
flat angles P-C4'-P energy: -30.551
tors. eta vs tors. theta energy: -65.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -597.984492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.984492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.984492 (E_RNA)
where:
Base-Base interactions energy: -345.628
where: short stacking energy: -169.286
Base-Backbone interact. energy: -1.583
local terms energy: -250.773222
where:
bonds (distance) C4'-P energy: -61.627
bonds (distance) P-C4' energy: -64.596
flat angles C4'-P-C4' energy: -71.723
flat angles P-C4'-P energy: -38.650
tors. eta vs tors. theta energy: -14.177
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: 334
Temperature: 1.350000
Total energy: -399.962936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.962936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.962936 (E_RNA)
where:
Base-Base interactions energy: -191.995
where: short stacking energy: -114.781
Base-Backbone interact. energy: -0.008
local terms energy: -207.960387
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -55.494
flat angles C4'-P-C4' energy: -49.963
flat angles P-C4'-P energy: -41.107
tors. eta vs tors. theta energy: -7.658
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: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1472.249139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.249139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.249139 (E_RNA)
where:
Base-Base interactions energy: -1042.459
where: short stacking energy: -425.461
Base-Backbone interact. energy: -0.479
local terms energy: -429.311824
where:
bonds (distance) C4'-P energy: -75.529
bonds (distance) P-C4' energy: -82.312
flat angles C4'-P-C4' energy: -90.329
flat angles P-C4'-P energy: -61.122
tors. eta vs tors. theta energy: -120.019
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: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1346.995761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.995761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.995761 (E_RNA)
where:
Base-Base interactions energy: -955.665
where: short stacking energy: -402.710
Base-Backbone interact. energy: 1.328
local terms energy: -392.658822
where:
bonds (distance) C4'-P energy: -78.473
bonds (distance) P-C4' energy: -68.760
flat angles C4'-P-C4' energy: -78.072
flat angles P-C4'-P energy: -55.728
tors. eta vs tors. theta energy: -111.626
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: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1353.684307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.684307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.684307 (E_RNA)
where:
Base-Base interactions energy: -974.519
where: short stacking energy: -387.667
Base-Backbone interact. energy: -1.340
local terms energy: -377.824713
where:
bonds (distance) C4'-P energy: -69.754
bonds (distance) P-C4' energy: -70.975
flat angles C4'-P-C4' energy: -87.185
flat angles P-C4'-P energy: -45.291
tors. eta vs tors. theta energy: -104.618
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: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1258.185120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.185120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.185120 (E_RNA)
where:
Base-Base interactions energy: -886.387
where: short stacking energy: -380.671
Base-Backbone interact. energy: -0.423
local terms energy: -371.375657
where:
bonds (distance) C4'-P energy: -61.214
bonds (distance) P-C4' energy: -63.857
flat angles C4'-P-C4' energy: -83.076
flat angles P-C4'-P energy: -58.007
tors. eta vs tors. theta energy: -105.221
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: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1167.782162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.782162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.782162 (E_RNA)
where:
Base-Base interactions energy: -819.865
where: short stacking energy: -355.925
Base-Backbone interact. energy: 0.966
local terms energy: -348.882343
where:
bonds (distance) C4'-P energy: -62.589
bonds (distance) P-C4' energy: -70.499
flat angles C4'-P-C4' energy: -71.827
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -95.469
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: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1170.153116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.153116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.153116 (E_RNA)
where:
Base-Base interactions energy: -814.865
where: short stacking energy: -323.880
Base-Backbone interact. energy: -2.279
local terms energy: -353.009666
where:
bonds (distance) C4'-P energy: -73.553
bonds (distance) P-C4' energy: -74.139
flat angles C4'-P-C4' energy: -77.081
flat angles P-C4'-P energy: -46.427
tors. eta vs tors. theta energy: -81.810
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: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1083.523604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.523604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.523604 (E_RNA)
where:
Base-Base interactions energy: -738.985
where: short stacking energy: -307.203
Base-Backbone interact. energy: -0.944
local terms energy: -343.594831
where:
bonds (distance) C4'-P energy: -63.453
bonds (distance) P-C4' energy: -62.916
flat angles C4'-P-C4' energy: -76.133
flat angles P-C4'-P energy: -47.775
tors. eta vs tors. theta energy: -93.319
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: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -938.133320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.133320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.133320 (E_RNA)
where:
Base-Base interactions energy: -646.126
where: short stacking energy: -282.229
Base-Backbone interact. energy: -2.523
local terms energy: -289.484086
where:
bonds (distance) C4'-P energy: -49.632
bonds (distance) P-C4' energy: -63.917
flat angles C4'-P-C4' energy: -68.206
flat angles P-C4'-P energy: -44.086
tors. eta vs tors. theta energy: -63.643
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: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -709.647765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.647765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.647765 (E_RNA)
where:
Base-Base interactions energy: -453.393
where: short stacking energy: -203.453
Base-Backbone interact. energy: -0.480
local terms energy: -255.774676
where:
bonds (distance) C4'-P energy: -63.353
bonds (distance) P-C4' energy: -66.452
flat angles C4'-P-C4' energy: -63.231
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -34.183
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: 335
Temperature: 1.350000
Total energy: -353.372376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.372376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.372376 (E_RNA)
where:
Base-Base interactions energy: -164.634
where: short stacking energy: -116.228
Base-Backbone interact. energy: 1.274
local terms energy: -190.012001
where:
bonds (distance) C4'-P energy: -51.596
bonds (distance) P-C4' energy: -56.844
flat angles C4'-P-C4' energy: -52.085
flat angles P-C4'-P energy: -35.730
tors. eta vs tors. theta energy: 6.243
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: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1473.050956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.050956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.050956 (E_RNA)
where:
Base-Base interactions energy: -1048.389
where: short stacking energy: -432.307
Base-Backbone interact. energy: 3.967
local terms energy: -428.629329
where:
bonds (distance) C4'-P energy: -77.842
bonds (distance) P-C4' energy: -80.728
flat angles C4'-P-C4' energy: -93.174
flat angles P-C4'-P energy: -59.381
tors. eta vs tors. theta energy: -117.504
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: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1363.458811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.458811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.458811 (E_RNA)
where:
Base-Base interactions energy: -961.800
where: short stacking energy: -401.939
Base-Backbone interact. energy: -1.724
local terms energy: -399.935053
where:
bonds (distance) C4'-P energy: -80.483
bonds (distance) P-C4' energy: -72.427
flat angles C4'-P-C4' energy: -83.075
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -111.976
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: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1341.392428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.392428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.392428 (E_RNA)
where:
Base-Base interactions energy: -956.588
where: short stacking energy: -388.735
Base-Backbone interact. energy: 0.717
local terms energy: -385.522056
where:
bonds (distance) C4'-P energy: -80.197
bonds (distance) P-C4' energy: -73.659
flat angles C4'-P-C4' energy: -77.370
flat angles P-C4'-P energy: -50.305
tors. eta vs tors. theta energy: -103.991
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: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1258.873769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.873769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.873769 (E_RNA)
where:
Base-Base interactions energy: -898.574
where: short stacking energy: -383.569
Base-Backbone interact. energy: -1.520
local terms energy: -358.779800
where:
bonds (distance) C4'-P energy: -62.220
bonds (distance) P-C4' energy: -58.609
flat angles C4'-P-C4' energy: -76.102
flat angles P-C4'-P energy: -55.883
tors. eta vs tors. theta energy: -105.965
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: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1188.648062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.648062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.648062 (E_RNA)
where:
Base-Base interactions energy: -843.820
where: short stacking energy: -346.435
Base-Backbone interact. energy: -1.308
local terms energy: -343.520007
where:
bonds (distance) C4'-P energy: -66.165
bonds (distance) P-C4' energy: -56.754
flat angles C4'-P-C4' energy: -76.189
flat angles P-C4'-P energy: -49.608
tors. eta vs tors. theta energy: -94.805
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: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1161.701013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.701013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.701013 (E_RNA)
where:
Base-Base interactions energy: -825.109
where: short stacking energy: -385.900
Base-Backbone interact. energy: -1.605
local terms energy: -334.986852
where:
bonds (distance) C4'-P energy: -58.550
bonds (distance) P-C4' energy: -57.543
flat angles C4'-P-C4' energy: -69.670
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -107.440
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: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1048.591607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.591607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.591607 (E_RNA)
where:
Base-Base interactions energy: -719.841
where: short stacking energy: -311.931
Base-Backbone interact. energy: -0.633
local terms energy: -328.116843
where:
bonds (distance) C4'-P energy: -65.302
bonds (distance) P-C4' energy: -65.765
flat angles C4'-P-C4' energy: -68.540
flat angles P-C4'-P energy: -37.816
tors. eta vs tors. theta energy: -90.693
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: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -986.089411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.089411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.089411 (E_RNA)
where:
Base-Base interactions energy: -683.633
where: short stacking energy: -320.818
Base-Backbone interact. energy: -2.385
local terms energy: -300.071761
where:
bonds (distance) C4'-P energy: -57.036
bonds (distance) P-C4' energy: -60.233
flat angles C4'-P-C4' energy: -56.740
flat angles P-C4'-P energy: -50.220
tors. eta vs tors. theta energy: -75.842
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: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -687.639670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.639670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.639670 (E_RNA)
where:
Base-Base interactions energy: -441.755
where: short stacking energy: -195.857
Base-Backbone interact. energy: 1.477
local terms energy: -247.362593
where:
bonds (distance) C4'-P energy: -54.596
bonds (distance) P-C4' energy: -66.904
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -33.537
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: 336
Temperature: 1.350000
Total energy: -461.414388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.414388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.414388 (E_RNA)
where:
Base-Base interactions energy: -237.963
where: short stacking energy: -136.763
Base-Backbone interact. energy: 2.189
local terms energy: -225.640104
where:
bonds (distance) C4'-P energy: -64.434
bonds (distance) P-C4' energy: -63.751
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -8.935
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: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1465.412734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.412734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.412734 (E_RNA)
where:
Base-Base interactions energy: -1044.033
where: short stacking energy: -425.510
Base-Backbone interact. energy: -2.539
local terms energy: -418.840971
where:
bonds (distance) C4'-P energy: -72.104
bonds (distance) P-C4' energy: -73.943
flat angles C4'-P-C4' energy: -94.829
flat angles P-C4'-P energy: -57.003
tors. eta vs tors. theta energy: -120.962
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: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1358.886684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.886684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.886684 (E_RNA)
where:
Base-Base interactions energy: -963.683
where: short stacking energy: -408.319
Base-Backbone interact. energy: -0.743
local terms energy: -394.460856
where:
bonds (distance) C4'-P energy: -67.580
bonds (distance) P-C4' energy: -78.072
flat angles C4'-P-C4' energy: -84.532
flat angles P-C4'-P energy: -50.352
tors. eta vs tors. theta energy: -113.926
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: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1332.874052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.874052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.874052 (E_RNA)
where:
Base-Base interactions energy: -962.966
where: short stacking energy: -379.124
Base-Backbone interact. energy: -1.643
local terms energy: -368.264624
where:
bonds (distance) C4'-P energy: -65.591
bonds (distance) P-C4' energy: -72.216
flat angles C4'-P-C4' energy: -77.501
flat angles P-C4'-P energy: -54.376
tors. eta vs tors. theta energy: -98.580
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: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1266.568792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.568792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.568792 (E_RNA)
where:
Base-Base interactions energy: -905.560
where: short stacking energy: -371.644
Base-Backbone interact. energy: -0.198
local terms energy: -360.810406
where:
bonds (distance) C4'-P energy: -64.039
bonds (distance) P-C4' energy: -72.049
flat angles C4'-P-C4' energy: -78.169
flat angles P-C4'-P energy: -48.246
tors. eta vs tors. theta energy: -98.307
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: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1206.436542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.436542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.436542 (E_RNA)
where:
Base-Base interactions energy: -848.088
where: short stacking energy: -350.438
Base-Backbone interact. energy: 0.149
local terms energy: -358.497779
where:
bonds (distance) C4'-P energy: -66.745
bonds (distance) P-C4' energy: -72.398
flat angles C4'-P-C4' energy: -70.484
flat angles P-C4'-P energy: -52.902
tors. eta vs tors. theta energy: -95.968
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: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1077.069871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.069871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.069871 (E_RNA)
where:
Base-Base interactions energy: -736.137
where: short stacking energy: -316.764
Base-Backbone interact. energy: -1.310
local terms energy: -339.623216
where:
bonds (distance) C4'-P energy: -70.339
bonds (distance) P-C4' energy: -76.037
flat angles C4'-P-C4' energy: -72.057
flat angles P-C4'-P energy: -41.848
tors. eta vs tors. theta energy: -79.342
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: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1119.170007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.170007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.170007 (E_RNA)
where:
Base-Base interactions energy: -781.359
where: short stacking energy: -317.587
Base-Backbone interact. energy: -1.560
local terms energy: -336.251009
where:
bonds (distance) C4'-P energy: -63.750
bonds (distance) P-C4' energy: -67.110
flat angles C4'-P-C4' energy: -73.030
flat angles P-C4'-P energy: -48.587
tors. eta vs tors. theta energy: -83.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -990.740904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.740904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.740904 (E_RNA)
where:
Base-Base interactions energy: -690.994
where: short stacking energy: -290.918
Base-Backbone interact. energy: -2.184
local terms energy: -297.562979
where:
bonds (distance) C4'-P energy: -63.569
bonds (distance) P-C4' energy: -52.510
flat angles C4'-P-C4' energy: -69.069
flat angles P-C4'-P energy: -38.362
tors. eta vs tors. theta energy: -74.053
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: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -746.413169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.413169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.413169 (E_RNA)
where:
Base-Base interactions energy: -483.488
where: short stacking energy: -216.205
Base-Backbone interact. energy: 0.856
local terms energy: -263.781276
where:
bonds (distance) C4'-P energy: -61.105
bonds (distance) P-C4' energy: -54.728
flat angles C4'-P-C4' energy: -64.137
flat angles P-C4'-P energy: -34.101
tors. eta vs tors. theta energy: -49.711
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: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -476.537049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.537049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.537049 (E_RNA)
where:
Base-Base interactions energy: -260.917
where: short stacking energy: -130.990
Base-Backbone interact. energy: -0.859
local terms energy: -214.760536
where:
bonds (distance) C4'-P energy: -55.458
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -54.620
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -14.088
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: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1458.036781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.036781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.036781 (E_RNA)
where:
Base-Base interactions energy: -1046.032
where: short stacking energy: -433.773
Base-Backbone interact. energy: -0.365
local terms energy: -411.639737
where:
bonds (distance) C4'-P energy: -81.882
bonds (distance) P-C4' energy: -68.146
flat angles C4'-P-C4' energy: -90.334
flat angles P-C4'-P energy: -54.399
tors. eta vs tors. theta energy: -116.878
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: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1366.094738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.094738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.094738 (E_RNA)
where:
Base-Base interactions energy: -970.817
where: short stacking energy: -401.255
Base-Backbone interact. energy: -1.754
local terms energy: -393.523227
where:
bonds (distance) C4'-P energy: -58.255
bonds (distance) P-C4' energy: -73.430
flat angles C4'-P-C4' energy: -92.313
flat angles P-C4'-P energy: -57.456
tors. eta vs tors. theta energy: -112.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1314.974770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.974770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.974770 (E_RNA)
where:
Base-Base interactions energy: -933.452
where: short stacking energy: -389.469
Base-Backbone interact. energy: -0.971
local terms energy: -380.552503
where:
bonds (distance) C4'-P energy: -68.771
bonds (distance) P-C4' energy: -67.032
flat angles C4'-P-C4' energy: -84.310
flat angles P-C4'-P energy: -50.516
tors. eta vs tors. theta energy: -109.924
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: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1312.624516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.624516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.624516 (E_RNA)
where:
Base-Base interactions energy: -964.704
where: short stacking energy: -379.040
Base-Backbone interact. energy: -2.053
local terms energy: -345.867455
where:
bonds (distance) C4'-P energy: -66.551
bonds (distance) P-C4' energy: -71.704
flat angles C4'-P-C4' energy: -68.989
flat angles P-C4'-P energy: -47.251
tors. eta vs tors. theta energy: -91.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1204.946293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.946293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.946293 (E_RNA)
where:
Base-Base interactions energy: -857.718
where: short stacking energy: -349.473
Base-Backbone interact. energy: -1.389
local terms energy: -345.839287
where:
bonds (distance) C4'-P energy: -61.783
bonds (distance) P-C4' energy: -69.671
flat angles C4'-P-C4' energy: -68.255
flat angles P-C4'-P energy: -51.491
tors. eta vs tors. theta energy: -94.639
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: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1076.674684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.674684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.674684 (E_RNA)
where:
Base-Base interactions energy: -745.371
where: short stacking energy: -328.080
Base-Backbone interact. energy: 0.048
local terms energy: -331.352252
where:
bonds (distance) C4'-P energy: -59.783
bonds (distance) P-C4' energy: -64.511
flat angles C4'-P-C4' energy: -67.489
flat angles P-C4'-P energy: -47.630
tors. eta vs tors. theta energy: -91.940
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: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1107.865081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.865081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.865081 (E_RNA)
where:
Base-Base interactions energy: -762.647
where: short stacking energy: -326.496
Base-Backbone interact. energy: -0.235
local terms energy: -344.982250
where:
bonds (distance) C4'-P energy: -63.436
bonds (distance) P-C4' energy: -68.250
flat angles C4'-P-C4' energy: -78.219
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: -99.887
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: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -954.408032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.408032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.408032 (E_RNA)
where:
Base-Base interactions energy: -637.138
where: short stacking energy: -284.238
Base-Backbone interact. energy: -2.942
local terms energy: -314.327992
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -72.057
flat angles C4'-P-C4' energy: -64.562
flat angles P-C4'-P energy: -41.958
tors. eta vs tors. theta energy: -77.212
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: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -741.769190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.769190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.769190 (E_RNA)
where:
Base-Base interactions energy: -502.314
where: short stacking energy: -241.883
Base-Backbone interact. energy: 0.989
local terms energy: -240.444880
where:
bonds (distance) C4'-P energy: -51.903
bonds (distance) P-C4' energy: -47.793
flat angles C4'-P-C4' energy: -60.448
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: -45.567
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: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -466.810543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.810543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.810543 (E_RNA)
where:
Base-Base interactions energy: -246.958
where: short stacking energy: -120.256
Base-Backbone interact. energy: -0.201
local terms energy: -219.651831
where:
bonds (distance) C4'-P energy: -60.254
bonds (distance) P-C4' energy: -68.273
flat angles C4'-P-C4' energy: -56.950
flat angles P-C4'-P energy: -29.114
tors. eta vs tors. theta energy: -5.060
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: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1479.847885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.847885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.847885 (E_RNA)
where:
Base-Base interactions energy: -1064.062
where: short stacking energy: -441.165
Base-Backbone interact. energy: -0.293
local terms energy: -415.492499
where:
bonds (distance) C4'-P energy: -73.021
bonds (distance) P-C4' energy: -75.139
flat angles C4'-P-C4' energy: -89.453
flat angles P-C4'-P energy: -55.523
tors. eta vs tors. theta energy: -122.356
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: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1350.949027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.949027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.949027 (E_RNA)
where:
Base-Base interactions energy: -947.053
where: short stacking energy: -404.040
Base-Backbone interact. energy: -2.865
local terms energy: -401.031652
where:
bonds (distance) C4'-P energy: -74.152
bonds (distance) P-C4' energy: -73.764
flat angles C4'-P-C4' energy: -82.399
flat angles P-C4'-P energy: -57.336
tors. eta vs tors. theta energy: -113.381
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: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1290.477478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.477478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.477478 (E_RNA)
where:
Base-Base interactions energy: -913.517
where: short stacking energy: -380.365
Base-Backbone interact. energy: 0.290
local terms energy: -377.250868
where:
bonds (distance) C4'-P energy: -62.124
bonds (distance) P-C4' energy: -71.289
flat angles C4'-P-C4' energy: -89.332
flat angles P-C4'-P energy: -52.117
tors. eta vs tors. theta energy: -102.390
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: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1315.618370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.618370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.618370 (E_RNA)
where:
Base-Base interactions energy: -958.789
where: short stacking energy: -364.838
Base-Backbone interact. energy: -1.703
local terms energy: -355.126825
where:
bonds (distance) C4'-P energy: -61.839
bonds (distance) P-C4' energy: -74.742
flat angles C4'-P-C4' energy: -71.148
flat angles P-C4'-P energy: -49.137
tors. eta vs tors. theta energy: -98.262
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: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1206.330077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.330077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.330077 (E_RNA)
where:
Base-Base interactions energy: -844.514
where: short stacking energy: -349.981
Base-Backbone interact. energy: -0.549
local terms energy: -361.266973
where:
bonds (distance) C4'-P energy: -61.539
bonds (distance) P-C4' energy: -72.812
flat angles C4'-P-C4' energy: -75.621
flat angles P-C4'-P energy: -52.437
tors. eta vs tors. theta energy: -98.858
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: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1099.905035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.905035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.905035 (E_RNA)
where:
Base-Base interactions energy: -742.599
where: short stacking energy: -312.768
Base-Backbone interact. energy: -1.487
local terms energy: -355.818384
where:
bonds (distance) C4'-P energy: -69.757
bonds (distance) P-C4' energy: -58.687
flat angles C4'-P-C4' energy: -80.094
flat angles P-C4'-P energy: -64.469
tors. eta vs tors. theta energy: -82.812
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: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1044.963724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.963724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.963724 (E_RNA)
where:
Base-Base interactions energy: -721.304
where: short stacking energy: -308.071
Base-Backbone interact. energy: 0.678
local terms energy: -324.338107
where:
bonds (distance) C4'-P energy: -64.302
bonds (distance) P-C4' energy: -66.851
flat angles C4'-P-C4' energy: -78.311
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -76.415
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: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -951.486283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.486283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.486283 (E_RNA)
where:
Base-Base interactions energy: -659.844
where: short stacking energy: -271.272
Base-Backbone interact. energy: -2.265
local terms energy: -289.377363
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -49.003
flat angles C4'-P-C4' energy: -58.544
flat angles P-C4'-P energy: -57.137
tors. eta vs tors. theta energy: -64.612
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: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -762.120646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.120646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.120646 (E_RNA)
where:
Base-Base interactions energy: -496.768
where: short stacking energy: -211.163
Base-Backbone interact. energy: -1.871
local terms energy: -263.480992
where:
bonds (distance) C4'-P energy: -54.952
bonds (distance) P-C4' energy: -75.438
flat angles C4'-P-C4' energy: -58.204
flat angles P-C4'-P energy: -37.189
tors. eta vs tors. theta energy: -37.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -469.561990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.561990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.561990 (E_RNA)
where:
Base-Base interactions energy: -266.677
where: short stacking energy: -142.313
Base-Backbone interact. energy: 0.673
local terms energy: -203.557875
where:
bonds (distance) C4'-P energy: -46.885
bonds (distance) P-C4' energy: -58.985
flat angles C4'-P-C4' energy: -64.986
flat angles P-C4'-P energy: -33.201
tors. eta vs tors. theta energy: 0.499
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: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1474.793822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.793822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.793822 (E_RNA)
where:
Base-Base interactions energy: -1050.434
where: short stacking energy: -430.275
Base-Backbone interact. energy: -0.383
local terms energy: -423.976864
where:
bonds (distance) C4'-P energy: -74.633
bonds (distance) P-C4' energy: -73.754
flat angles C4'-P-C4' energy: -97.641
flat angles P-C4'-P energy: -62.374
tors. eta vs tors. theta energy: -115.575
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: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1349.301861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.301861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.301861 (E_RNA)
where:
Base-Base interactions energy: -947.943
where: short stacking energy: -408.165
Base-Backbone interact. energy: -0.876
local terms energy: -400.483504
where:
bonds (distance) C4'-P energy: -67.028
bonds (distance) P-C4' energy: -75.041
flat angles C4'-P-C4' energy: -85.288
flat angles P-C4'-P energy: -60.086
tors. eta vs tors. theta energy: -113.041
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: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1339.869726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.869726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.869726 (E_RNA)
where:
Base-Base interactions energy: -976.428
where: short stacking energy: -374.665
Base-Backbone interact. energy: -0.397
local terms energy: -363.045021
where:
bonds (distance) C4'-P energy: -64.241
bonds (distance) P-C4' energy: -70.711
flat angles C4'-P-C4' energy: -75.879
flat angles P-C4'-P energy: -58.692
tors. eta vs tors. theta energy: -93.522
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: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1274.238271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.238271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.238271 (E_RNA)
where:
Base-Base interactions energy: -916.171
where: short stacking energy: -388.820
Base-Backbone interact. energy: -2.182
local terms energy: -355.885362
where:
bonds (distance) C4'-P energy: -55.945
bonds (distance) P-C4' energy: -70.360
flat angles C4'-P-C4' energy: -73.332
flat angles P-C4'-P energy: -50.073
tors. eta vs tors. theta energy: -106.176
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: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1176.559119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.559119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.559119 (E_RNA)
where:
Base-Base interactions energy: -837.620
where: short stacking energy: -336.012
Base-Backbone interact. energy: -1.237
local terms energy: -337.702194
where:
bonds (distance) C4'-P energy: -65.649
bonds (distance) P-C4' energy: -67.913
flat angles C4'-P-C4' energy: -73.975
flat angles P-C4'-P energy: -42.772
tors. eta vs tors. theta energy: -87.393
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: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1154.648192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.648192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.648192 (E_RNA)
where:
Base-Base interactions energy: -808.711
where: short stacking energy: -357.261
Base-Backbone interact. energy: -0.249
local terms energy: -345.687512
where:
bonds (distance) C4'-P energy: -62.340
bonds (distance) P-C4' energy: -62.219
flat angles C4'-P-C4' energy: -78.955
flat angles P-C4'-P energy: -47.616
tors. eta vs tors. theta energy: -94.557
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: 7, replica: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1056.769792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.769792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.769792 (E_RNA)
where:
Base-Base interactions energy: -731.263
where: short stacking energy: -308.195
Base-Backbone interact. energy: 1.384
local terms energy: -326.890286
where:
bonds (distance) C4'-P energy: -57.556
bonds (distance) P-C4' energy: -66.749
flat angles C4'-P-C4' energy: -66.969
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -86.491
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: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -939.500133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.500133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.500133 (E_RNA)
where:
Base-Base interactions energy: -636.970
where: short stacking energy: -266.568
Base-Backbone interact. energy: 2.370
local terms energy: -304.899980
where:
bonds (distance) C4'-P energy: -56.077
bonds (distance) P-C4' energy: -66.832
flat angles C4'-P-C4' energy: -65.986
flat angles P-C4'-P energy: -44.103
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: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -781.819285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.819285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.819285 (E_RNA)
where:
Base-Base interactions energy: -495.457
where: short stacking energy: -239.789
Base-Backbone interact. energy: 2.090
local terms energy: -288.451895
where:
bonds (distance) C4'-P energy: -76.195
bonds (distance) P-C4' energy: -60.609
flat angles C4'-P-C4' energy: -65.206
flat angles P-C4'-P energy: -40.902
tors. eta vs tors. theta energy: -45.540
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: 340
Temperature: 1.350000
Total energy: -423.584187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.584187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.584187 (E_RNA)
where:
Base-Base interactions energy: -212.702
where: short stacking energy: -112.318
Base-Backbone interact. energy: -1.394
local terms energy: -209.488112
where:
bonds (distance) C4'-P energy: -59.223
bonds (distance) P-C4' energy: -75.789
flat angles C4'-P-C4' energy: -44.263
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -6.721
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: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1463.701937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.701937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.701937 (E_RNA)
where:
Base-Base interactions energy: -1046.726
where: short stacking energy: -440.547
Base-Backbone interact. energy: -0.060
local terms energy: -416.916558
where:
bonds (distance) C4'-P energy: -75.902
bonds (distance) P-C4' energy: -72.296
flat angles C4'-P-C4' energy: -92.902
flat angles P-C4'-P energy: -63.017
tors. eta vs tors. theta energy: -112.800
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: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1357.897194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.897194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.897194 (E_RNA)
where:
Base-Base interactions energy: -957.092
where: short stacking energy: -392.699
Base-Backbone interact. energy: -0.650
local terms energy: -400.155913
where:
bonds (distance) C4'-P energy: -78.191
bonds (distance) P-C4' energy: -75.712
flat angles C4'-P-C4' energy: -82.301
flat angles P-C4'-P energy: -58.562
tors. eta vs tors. theta energy: -105.390
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: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1308.277318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.277318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.277318 (E_RNA)
where:
Base-Base interactions energy: -938.930
where: short stacking energy: -367.109
Base-Backbone interact. energy: -2.179
local terms energy: -367.168819
where:
bonds (distance) C4'-P energy: -69.645
bonds (distance) P-C4' energy: -71.623
flat angles C4'-P-C4' energy: -70.005
flat angles P-C4'-P energy: -55.721
tors. eta vs tors. theta energy: -100.176
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: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1261.736827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.736827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.736827 (E_RNA)
where:
Base-Base interactions energy: -893.453
where: short stacking energy: -378.555
Base-Backbone interact. energy: -1.408
local terms energy: -366.875658
where:
bonds (distance) C4'-P energy: -65.062
bonds (distance) P-C4' energy: -66.295
flat angles C4'-P-C4' energy: -80.929
flat angles P-C4'-P energy: -49.467
tors. eta vs tors. theta energy: -105.122
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: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1175.567635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.567635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.567635 (E_RNA)
where:
Base-Base interactions energy: -826.980
where: short stacking energy: -338.973
Base-Backbone interact. energy: -1.446
local terms energy: -347.141590
where:
bonds (distance) C4'-P energy: -80.635
bonds (distance) P-C4' energy: -67.623
flat angles C4'-P-C4' energy: -67.083
flat angles P-C4'-P energy: -45.869
tors. eta vs tors. theta energy: -85.931
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: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1110.702274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.702274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.702274 (E_RNA)
where:
Base-Base interactions energy: -771.942
where: short stacking energy: -337.127
Base-Backbone interact. energy: 6.580
local terms energy: -345.339883
where:
bonds (distance) C4'-P energy: -62.055
bonds (distance) P-C4' energy: -58.384
flat angles C4'-P-C4' energy: -73.363
flat angles P-C4'-P energy: -59.057
tors. eta vs tors. theta energy: -92.480
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: 341
Temperature: 1.200000
Total energy: -1053.036080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.036080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.036080 (E_RNA)
where:
Base-Base interactions energy: -712.693
where: short stacking energy: -309.094
Base-Backbone interact. energy: -1.940
local terms energy: -338.403239
where:
bonds (distance) C4'-P energy: -70.080
bonds (distance) P-C4' energy: -67.480
flat angles C4'-P-C4' energy: -79.417
flat angles P-C4'-P energy: -33.445
tors. eta vs tors. theta energy: -87.981
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: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -941.513120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.513120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.513120 (E_RNA)
where:
Base-Base interactions energy: -652.500
where: short stacking energy: -278.167
Base-Backbone interact. energy: 1.410
local terms energy: -290.422597
where:
bonds (distance) C4'-P energy: -61.756
bonds (distance) P-C4' energy: -52.004
flat angles C4'-P-C4' energy: -57.541
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -73.928
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: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -763.942801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.942801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.942801 (E_RNA)
where:
Base-Base interactions energy: -507.846
where: short stacking energy: -212.823
Base-Backbone interact. energy: 0.151
local terms energy: -256.247213
where:
bonds (distance) C4'-P energy: -53.110
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -63.618
flat angles P-C4'-P energy: -37.687
tors. eta vs tors. theta energy: -41.803
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: 341
Temperature: 1.350000
Total energy: -471.639773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.639773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.639773 (E_RNA)
where:
Base-Base interactions energy: -267.099
where: short stacking energy: -145.509
Base-Backbone interact. energy: -0.009
local terms energy: -204.530920
where:
bonds (distance) C4'-P energy: -57.731
bonds (distance) P-C4' energy: -50.605
flat angles C4'-P-C4' energy: -47.419
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -24.608
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: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1467.923813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.923813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.923813 (E_RNA)
where:
Base-Base interactions energy: -1051.992
where: short stacking energy: -443.814
Base-Backbone interact. energy: -0.877
local terms energy: -415.055274
where:
bonds (distance) C4'-P energy: -78.668
bonds (distance) P-C4' energy: -71.935
flat angles C4'-P-C4' energy: -87.473
flat angles P-C4'-P energy: -56.435
tors. eta vs tors. theta energy: -120.544
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: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1343.001072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.001072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.001072 (E_RNA)
where:
Base-Base interactions energy: -947.307
where: short stacking energy: -395.204
Base-Backbone interact. energy: 0.683
local terms energy: -396.376741
where:
bonds (distance) C4'-P energy: -72.987
bonds (distance) P-C4' energy: -74.082
flat angles C4'-P-C4' energy: -87.468
flat angles P-C4'-P energy: -56.443
tors. eta vs tors. theta energy: -105.397
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: 342
Temperature: 1.000000
Total energy: -1317.584234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.584234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.584234 (E_RNA)
where:
Base-Base interactions energy: -953.700
where: short stacking energy: -386.838
Base-Backbone interact. energy: -1.164
local terms energy: -362.719498
where:
bonds (distance) C4'-P energy: -56.918
bonds (distance) P-C4' energy: -65.073
flat angles C4'-P-C4' energy: -83.734
flat angles P-C4'-P energy: -58.816
tors. eta vs tors. theta energy: -98.178
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: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1278.223856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.223856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.223856 (E_RNA)
where:
Base-Base interactions energy: -886.236
where: short stacking energy: -390.567
Base-Backbone interact. energy: -0.891
local terms energy: -391.096758
where:
bonds (distance) C4'-P energy: -69.763
bonds (distance) P-C4' energy: -70.290
flat angles C4'-P-C4' energy: -89.483
flat angles P-C4'-P energy: -54.905
tors. eta vs tors. theta energy: -106.656
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: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1194.505377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.505377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.505377 (E_RNA)
where:
Base-Base interactions energy: -849.907
where: short stacking energy: -365.660
Base-Backbone interact. energy: -2.436
local terms energy: -342.162198
where:
bonds (distance) C4'-P energy: -62.155
bonds (distance) P-C4' energy: -64.316
flat angles C4'-P-C4' energy: -68.226
flat angles P-C4'-P energy: -45.116
tors. eta vs tors. theta energy: -102.348
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: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1110.481797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.481797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.481797 (E_RNA)
where:
Base-Base interactions energy: -771.449
where: short stacking energy: -335.816
Base-Backbone interact. energy: -1.422
local terms energy: -337.610812
where:
bonds (distance) C4'-P energy: -56.903
bonds (distance) P-C4' energy: -62.561
flat angles C4'-P-C4' energy: -74.723
flat angles P-C4'-P energy: -51.726
tors. eta vs tors. theta energy: -91.698
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: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1069.452813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.452813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.452813 (E_RNA)
where:
Base-Base interactions energy: -749.503
where: short stacking energy: -309.411
Base-Backbone interact. energy: 1.634
local terms energy: -321.583583
where:
bonds (distance) C4'-P energy: -69.793
bonds (distance) P-C4' energy: -60.420
flat angles C4'-P-C4' energy: -71.413
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -78.769
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: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -943.281860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.281860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.281860 (E_RNA)
where:
Base-Base interactions energy: -650.532
where: short stacking energy: -284.333
Base-Backbone interact. energy: -0.262
local terms energy: -292.488053
where:
bonds (distance) C4'-P energy: -55.392
bonds (distance) P-C4' energy: -60.617
flat angles C4'-P-C4' energy: -69.333
flat angles P-C4'-P energy: -45.430
tors. eta vs tors. theta energy: -61.716
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: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -765.195112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.195112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.195112 (E_RNA)
where:
Base-Base interactions energy: -495.880
where: short stacking energy: -220.133
Base-Backbone interact. energy: 0.438
local terms energy: -269.753201
where:
bonds (distance) C4'-P energy: -60.687
bonds (distance) P-C4' energy: -71.345
flat angles C4'-P-C4' energy: -58.218
flat angles P-C4'-P energy: -33.861
tors. eta vs tors. theta energy: -45.643
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: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -570.965770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.965770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.965770 (E_RNA)
where:
Base-Base interactions energy: -332.390
where: short stacking energy: -176.346
Base-Backbone interact. energy: -0.186
local terms energy: -238.389307
where:
bonds (distance) C4'-P energy: -59.049
bonds (distance) P-C4' energy: -59.290
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -33.444
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: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1466.999178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.999178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.999178 (E_RNA)
where:
Base-Base interactions energy: -1046.289
where: short stacking energy: -434.157
Base-Backbone interact. energy: -1.098
local terms energy: -419.612107
where:
bonds (distance) C4'-P energy: -77.337
bonds (distance) P-C4' energy: -81.218
flat angles C4'-P-C4' energy: -84.406
flat angles P-C4'-P energy: -57.196
tors. eta vs tors. theta energy: -119.456
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: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1354.804196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.804196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.804196 (E_RNA)
where:
Base-Base interactions energy: -960.543
where: short stacking energy: -402.662
Base-Backbone interact. energy: -0.640
local terms energy: -393.621623
where:
bonds (distance) C4'-P energy: -69.970
bonds (distance) P-C4' energy: -66.158
flat angles C4'-P-C4' energy: -80.954
flat angles P-C4'-P energy: -60.763
tors. eta vs tors. theta energy: -115.776
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: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1339.252821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.252821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.252821 (E_RNA)
where:
Base-Base interactions energy: -944.866
where: short stacking energy: -376.572
Base-Backbone interact. energy: -0.993
local terms energy: -393.393499
where:
bonds (distance) C4'-P energy: -75.846
bonds (distance) P-C4' energy: -66.645
flat angles C4'-P-C4' energy: -86.858
flat angles P-C4'-P energy: -55.729
tors. eta vs tors. theta energy: -108.316
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: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1233.227824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.227824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.227824 (E_RNA)
where:
Base-Base interactions energy: -865.749
where: short stacking energy: -371.203
Base-Backbone interact. energy: -0.182
local terms energy: -367.297165
where:
bonds (distance) C4'-P energy: -59.569
bonds (distance) P-C4' energy: -64.646
flat angles C4'-P-C4' energy: -85.832
flat angles P-C4'-P energy: -56.774
tors. eta vs tors. theta energy: -100.475
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: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1198.375683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.375683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.375683 (E_RNA)
where:
Base-Base interactions energy: -849.928
where: short stacking energy: -358.065
Base-Backbone interact. energy: -0.362
local terms energy: -348.086312
where:
bonds (distance) C4'-P energy: -61.853
bonds (distance) P-C4' energy: -75.538
flat angles C4'-P-C4' energy: -71.215
flat angles P-C4'-P energy: -42.616
tors. eta vs tors. theta energy: -96.864
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: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1162.003753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.003753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.003753 (E_RNA)
where:
Base-Base interactions energy: -828.395
where: short stacking energy: -333.964
Base-Backbone interact. energy: -0.197
local terms energy: -333.411978
where:
bonds (distance) C4'-P energy: -54.353
bonds (distance) P-C4' energy: -65.541
flat angles C4'-P-C4' energy: -82.558
flat angles P-C4'-P energy: -38.464
tors. eta vs tors. theta energy: -92.496
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: 343
Temperature: 1.200000
Total energy: -1039.780559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.780559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.780559 (E_RNA)
where:
Base-Base interactions energy: -732.131
where: short stacking energy: -306.908
Base-Backbone interact. energy: 7.671
local terms energy: -315.320757
where:
bonds (distance) C4'-P energy: -65.782
bonds (distance) P-C4' energy: -64.839
flat angles C4'-P-C4' energy: -67.060
flat angles P-C4'-P energy: -44.302
tors. eta vs tors. theta energy: -73.338
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: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -915.216055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.216055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.216055 (E_RNA)
where:
Base-Base interactions energy: -619.059
where: short stacking energy: -251.902
Base-Backbone interact. energy: -1.082
local terms energy: -295.074914
where:
bonds (distance) C4'-P energy: -50.692
bonds (distance) P-C4' energy: -69.239
flat angles C4'-P-C4' energy: -65.219
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -65.077
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: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -786.264813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.264813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.264813 (E_RNA)
where:
Base-Base interactions energy: -504.834
where: short stacking energy: -232.169
Base-Backbone interact. energy: -1.367
local terms energy: -280.063972
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -71.627
flat angles C4'-P-C4' energy: -65.690
flat angles P-C4'-P energy: -38.135
tors. eta vs tors. theta energy: -52.074
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: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -575.201328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.201328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.201328 (E_RNA)
where:
Base-Base interactions energy: -318.491
where: short stacking energy: -159.385
Base-Backbone interact. energy: -1.388
local terms energy: -255.322916
where:
bonds (distance) C4'-P energy: -70.378
bonds (distance) P-C4' energy: -58.969
flat angles C4'-P-C4' energy: -62.066
flat angles P-C4'-P energy: -40.762
tors. eta vs tors. theta energy: -23.148
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: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1469.426123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.426123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.426123 (E_RNA)
where:
Base-Base interactions energy: -1046.269
where: short stacking energy: -428.364
Base-Backbone interact. energy: -0.184
local terms energy: -422.972435
where:
bonds (distance) C4'-P energy: -69.675
bonds (distance) P-C4' energy: -81.594
flat angles C4'-P-C4' energy: -91.097
flat angles P-C4'-P energy: -63.635
tors. eta vs tors. theta energy: -116.971
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: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1352.611110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.611110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.611110 (E_RNA)
where:
Base-Base interactions energy: -950.547
where: short stacking energy: -409.166
Base-Backbone interact. energy: -1.749
local terms energy: -400.315041
where:
bonds (distance) C4'-P energy: -72.850
bonds (distance) P-C4' energy: -78.215
flat angles C4'-P-C4' energy: -81.799
flat angles P-C4'-P energy: -51.667
tors. eta vs tors. theta energy: -115.784
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: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1335.735015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.735015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.735015 (E_RNA)
where:
Base-Base interactions energy: -961.158
where: short stacking energy: -381.703
Base-Backbone interact. energy: -2.751
local terms energy: -371.826051
where:
bonds (distance) C4'-P energy: -68.498
bonds (distance) P-C4' energy: -82.587
flat angles C4'-P-C4' energy: -74.606
flat angles P-C4'-P energy: -48.069
tors. eta vs tors. theta energy: -98.066
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: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1254.397020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.397020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.397020 (E_RNA)
where:
Base-Base interactions energy: -868.973
where: short stacking energy: -377.514
Base-Backbone interact. energy: -0.549
local terms energy: -384.875419
where:
bonds (distance) C4'-P energy: -77.986
bonds (distance) P-C4' energy: -71.861
flat angles C4'-P-C4' energy: -71.898
flat angles P-C4'-P energy: -58.513
tors. eta vs tors. theta energy: -104.618
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: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1189.420595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.420595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.420595 (E_RNA)
where:
Base-Base interactions energy: -854.603
where: short stacking energy: -353.355
Base-Backbone interact. energy: -0.522
local terms energy: -334.295698
where:
bonds (distance) C4'-P energy: -53.240
bonds (distance) P-C4' energy: -68.599
flat angles C4'-P-C4' energy: -71.520
flat angles P-C4'-P energy: -51.526
tors. eta vs tors. theta energy: -89.410
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: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1176.404127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.404127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.404127 (E_RNA)
where:
Base-Base interactions energy: -841.994
where: short stacking energy: -366.092
Base-Backbone interact. energy: -1.480
local terms energy: -332.929876
where:
bonds (distance) C4'-P energy: -54.968
bonds (distance) P-C4' energy: -69.107
flat angles C4'-P-C4' energy: -70.681
flat angles P-C4'-P energy: -45.301
tors. eta vs tors. theta energy: -92.872
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: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1082.046659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.046659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.046659 (E_RNA)
where:
Base-Base interactions energy: -759.020
where: short stacking energy: -314.456
Base-Backbone interact. energy: -2.704
local terms energy: -320.322805
where:
bonds (distance) C4'-P energy: -59.614
bonds (distance) P-C4' energy: -60.763
flat angles C4'-P-C4' energy: -71.374
flat angles P-C4'-P energy: -43.167
tors. eta vs tors. theta energy: -85.405
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: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -898.562438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.562438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.562438 (E_RNA)
where:
Base-Base interactions energy: -592.198
where: short stacking energy: -266.991
Base-Backbone interact. energy: 0.276
local terms energy: -306.640506
where:
bonds (distance) C4'-P energy: -57.939
bonds (distance) P-C4' energy: -62.818
flat angles C4'-P-C4' energy: -72.990
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -72.689
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: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -817.557340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.557340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.557340 (E_RNA)
where:
Base-Base interactions energy: -549.286
where: short stacking energy: -240.149
Base-Backbone interact. energy: -1.081
local terms energy: -267.190976
where:
bonds (distance) C4'-P energy: -68.883
bonds (distance) P-C4' energy: -55.133
flat angles C4'-P-C4' energy: -61.056
flat angles P-C4'-P energy: -40.557
tors. eta vs tors. theta energy: -41.562
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: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -586.145428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.145428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.145428 (E_RNA)
where:
Base-Base interactions energy: -348.032
where: short stacking energy: -164.301
Base-Backbone interact. energy: 4.223
local terms energy: -242.336741
where:
bonds (distance) C4'-P energy: -55.112
bonds (distance) P-C4' energy: -61.479
flat angles C4'-P-C4' energy: -62.558
flat angles P-C4'-P energy: -38.911
tors. eta vs tors. theta energy: -24.277
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: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1469.709126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.709126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.709126 (E_RNA)
where:
Base-Base interactions energy: -1057.500
where: short stacking energy: -431.054
Base-Backbone interact. energy: -0.189
local terms energy: -412.019996
where:
bonds (distance) C4'-P energy: -72.782
bonds (distance) P-C4' energy: -79.560
flat angles C4'-P-C4' energy: -82.304
flat angles P-C4'-P energy: -61.068
tors. eta vs tors. theta energy: -116.306
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: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1334.143195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.143195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.143195 (E_RNA)
where:
Base-Base interactions energy: -935.814
where: short stacking energy: -394.569
Base-Backbone interact. energy: -1.457
local terms energy: -396.872367
where:
bonds (distance) C4'-P energy: -77.156
bonds (distance) P-C4' energy: -80.637
flat angles C4'-P-C4' energy: -76.934
flat angles P-C4'-P energy: -50.856
tors. eta vs tors. theta energy: -111.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1327.288990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.288990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.288990 (E_RNA)
where:
Base-Base interactions energy: -950.140
where: short stacking energy: -363.891
Base-Backbone interact. energy: -1.980
local terms energy: -375.168051
where:
bonds (distance) C4'-P energy: -75.791
bonds (distance) P-C4' energy: -65.684
flat angles C4'-P-C4' energy: -84.166
flat angles P-C4'-P energy: -45.616
tors. eta vs tors. theta energy: -103.912
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: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1269.737221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.737221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.737221 (E_RNA)
where:
Base-Base interactions energy: -897.816
where: short stacking energy: -378.281
Base-Backbone interact. energy: -1.429
local terms energy: -370.493030
where:
bonds (distance) C4'-P energy: -66.172
bonds (distance) P-C4' energy: -70.802
flat angles C4'-P-C4' energy: -83.827
flat angles P-C4'-P energy: -48.856
tors. eta vs tors. theta energy: -100.835
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: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1191.439256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.439256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.439256 (E_RNA)
where:
Base-Base interactions energy: -844.387
where: short stacking energy: -345.486
Base-Backbone interact. energy: -2.232
local terms energy: -344.819907
where:
bonds (distance) C4'-P energy: -58.881
bonds (distance) P-C4' energy: -65.529
flat angles C4'-P-C4' energy: -78.239
flat angles P-C4'-P energy: -41.990
tors. eta vs tors. theta energy: -100.181
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: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1151.265126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.265126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.265126 (E_RNA)
where:
Base-Base interactions energy: -809.426
where: short stacking energy: -342.073
Base-Backbone interact. energy: -0.656
local terms energy: -341.183492
where:
bonds (distance) C4'-P energy: -71.854
bonds (distance) P-C4' energy: -61.227
flat angles C4'-P-C4' energy: -68.073
flat angles P-C4'-P energy: -52.894
tors. eta vs tors. theta energy: -87.136
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: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1062.168707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.168707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.168707 (E_RNA)
where:
Base-Base interactions energy: -748.336
where: short stacking energy: -324.296
Base-Backbone interact. energy: 0.536
local terms energy: -314.368458
where:
bonds (distance) C4'-P energy: -54.010
bonds (distance) P-C4' energy: -65.765
flat angles C4'-P-C4' energy: -72.622
flat angles P-C4'-P energy: -39.121
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: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -877.254793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.254793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.254793 (E_RNA)
where:
Base-Base interactions energy: -584.314
where: short stacking energy: -258.359
Base-Backbone interact. energy: -0.023
local terms energy: -292.917625
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -46.803
flat angles C4'-P-C4' energy: -73.850
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -60.520
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: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -853.786687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.786687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.786687 (E_RNA)
where:
Base-Base interactions energy: -554.095
where: short stacking energy: -257.247
Base-Backbone interact. energy: -0.756
local terms energy: -298.935755
where:
bonds (distance) C4'-P energy: -64.612
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -73.123
flat angles P-C4'-P energy: -47.373
tors. eta vs tors. theta energy: -59.911
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: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -535.673345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.673345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.673345 (E_RNA)
where:
Base-Base interactions energy: -305.999
where: short stacking energy: -145.431
Base-Backbone interact. energy: -1.461
local terms energy: -228.213466
where:
bonds (distance) C4'-P energy: -63.912
bonds (distance) P-C4' energy: -52.681
flat angles C4'-P-C4' energy: -56.183
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -16.093
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: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1491.459916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.459916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.459916 (E_RNA)
where:
Base-Base interactions energy: -1061.060
where: short stacking energy: -435.504
Base-Backbone interact. energy: -1.117
local terms energy: -429.283200
where:
bonds (distance) C4'-P energy: -77.765
bonds (distance) P-C4' energy: -73.725
flat angles C4'-P-C4' energy: -89.680
flat angles P-C4'-P energy: -58.365
tors. eta vs tors. theta energy: -129.748
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: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1337.855032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.855032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.855032 (E_RNA)
where:
Base-Base interactions energy: -959.930
where: short stacking energy: -399.192
Base-Backbone interact. energy: -1.433
local terms energy: -376.492616
where:
bonds (distance) C4'-P energy: -59.525
bonds (distance) P-C4' energy: -72.494
flat angles C4'-P-C4' energy: -78.430
flat angles P-C4'-P energy: -51.197
tors. eta vs tors. theta energy: -114.847
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: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1336.117781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.117781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.117781 (E_RNA)
where:
Base-Base interactions energy: -955.278
where: short stacking energy: -379.581
Base-Backbone interact. energy: -1.578
local terms energy: -379.260993
where:
bonds (distance) C4'-P energy: -69.721
bonds (distance) P-C4' energy: -83.023
flat angles C4'-P-C4' energy: -78.686
flat angles P-C4'-P energy: -52.074
tors. eta vs tors. theta energy: -95.757
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: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1263.554892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.554892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.554892 (E_RNA)
where:
Base-Base interactions energy: -884.171
where: short stacking energy: -370.985
Base-Backbone interact. energy: -0.655
local terms energy: -378.729403
where:
bonds (distance) C4'-P energy: -75.101
bonds (distance) P-C4' energy: -66.176
flat angles C4'-P-C4' energy: -87.698
flat angles P-C4'-P energy: -47.704
tors. eta vs tors. theta energy: -102.051
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: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1174.668907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.668907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.668907 (E_RNA)
where:
Base-Base interactions energy: -826.182
where: short stacking energy: -367.467
Base-Backbone interact. energy: 5.618
local terms energy: -354.105470
where:
bonds (distance) C4'-P energy: -63.540
bonds (distance) P-C4' energy: -69.003
flat angles C4'-P-C4' energy: -79.601
flat angles P-C4'-P energy: -48.893
tors. eta vs tors. theta energy: -93.069
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: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1171.420481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.420481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.420481 (E_RNA)
where:
Base-Base interactions energy: -819.176
where: short stacking energy: -320.119
Base-Backbone interact. energy: -0.927
local terms energy: -351.316802
where:
bonds (distance) C4'-P energy: -60.213
bonds (distance) P-C4' energy: -74.125
flat angles C4'-P-C4' energy: -71.874
flat angles P-C4'-P energy: -47.695
tors. eta vs tors. theta energy: -97.410
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: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1067.160179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.160179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.160179 (E_RNA)
where:
Base-Base interactions energy: -735.640
where: short stacking energy: -315.749
Base-Backbone interact. energy: 3.038
local terms energy: -334.557477
where:
bonds (distance) C4'-P energy: -67.956
bonds (distance) P-C4' energy: -76.651
flat angles C4'-P-C4' energy: -67.080
flat angles P-C4'-P energy: -47.634
tors. eta vs tors. theta energy: -75.237
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: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -863.808613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.808613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.808613 (E_RNA)
where:
Base-Base interactions energy: -580.078
where: short stacking energy: -257.163
Base-Backbone interact. energy: -1.462
local terms energy: -282.268125
where:
bonds (distance) C4'-P energy: -61.057
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -65.763
flat angles P-C4'-P energy: -32.316
tors. eta vs tors. theta energy: -62.768
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: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -854.928914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.928914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.928914 (E_RNA)
where:
Base-Base interactions energy: -564.411
where: short stacking energy: -251.720
Base-Backbone interact. energy: -1.071
local terms energy: -289.446519
where:
bonds (distance) C4'-P energy: -62.603
bonds (distance) P-C4' energy: -71.811
flat angles C4'-P-C4' energy: -66.391
flat angles P-C4'-P energy: -31.268
tors. eta vs tors. theta energy: -57.373
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: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -542.335277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.335277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.335277 (E_RNA)
where:
Base-Base interactions energy: -309.609
where: short stacking energy: -159.839
Base-Backbone interact. energy: 2.076
local terms energy: -234.802497
where:
bonds (distance) C4'-P energy: -58.080
bonds (distance) P-C4' energy: -68.570
flat angles C4'-P-C4' energy: -58.695
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -28.694
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: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1474.243300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.243300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.243300 (E_RNA)
where:
Base-Base interactions energy: -1058.175
where: short stacking energy: -437.131
Base-Backbone interact. energy: -0.056
local terms energy: -416.012086
where:
bonds (distance) C4'-P energy: -71.335
bonds (distance) P-C4' energy: -74.828
flat angles C4'-P-C4' energy: -84.535
flat angles P-C4'-P energy: -63.953
tors. eta vs tors. theta energy: -121.362
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: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1384.006115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.006115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.006115 (E_RNA)
where:
Base-Base interactions energy: -988.381
where: short stacking energy: -394.831
Base-Backbone interact. energy: -4.428
local terms energy: -391.196535
where:
bonds (distance) C4'-P energy: -67.928
bonds (distance) P-C4' energy: -76.699
flat angles C4'-P-C4' energy: -83.584
flat angles P-C4'-P energy: -61.890
tors. eta vs tors. theta energy: -101.096
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: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1321.591120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.591120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.591120 (E_RNA)
where:
Base-Base interactions energy: -931.224
where: short stacking energy: -391.244
Base-Backbone interact. energy: -1.657
local terms energy: -388.709535
where:
bonds (distance) C4'-P energy: -74.515
bonds (distance) P-C4' energy: -72.923
flat angles C4'-P-C4' energy: -79.812
flat angles P-C4'-P energy: -52.250
tors. eta vs tors. theta energy: -109.210
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: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1260.773948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.773948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.773948 (E_RNA)
where:
Base-Base interactions energy: -887.327
where: short stacking energy: -373.080
Base-Backbone interact. energy: -0.258
local terms energy: -373.189287
where:
bonds (distance) C4'-P energy: -74.637
bonds (distance) P-C4' energy: -62.403
flat angles C4'-P-C4' energy: -75.779
flat angles P-C4'-P energy: -47.614
tors. eta vs tors. theta energy: -112.757
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: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1230.303981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.303981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.303981 (E_RNA)
where:
Base-Base interactions energy: -877.177
where: short stacking energy: -363.583
Base-Backbone interact. energy: -1.971
local terms energy: -351.156413
where:
bonds (distance) C4'-P energy: -58.397
bonds (distance) P-C4' energy: -74.772
flat angles C4'-P-C4' energy: -63.282
flat angles P-C4'-P energy: -56.274
tors. eta vs tors. theta energy: -98.431
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: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1170.916932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.916932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.916932 (E_RNA)
where:
Base-Base interactions energy: -819.811
where: short stacking energy: -342.058
Base-Backbone interact. energy: -1.680
local terms energy: -349.426353
where:
bonds (distance) C4'-P energy: -62.019
bonds (distance) P-C4' energy: -62.250
flat angles C4'-P-C4' energy: -74.095
flat angles P-C4'-P energy: -53.905
tors. eta vs tors. theta energy: -97.157
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: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1040.686162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.686162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.686162 (E_RNA)
where:
Base-Base interactions energy: -718.258
where: short stacking energy: -311.834
Base-Backbone interact. energy: 1.649
local terms energy: -324.076900
where:
bonds (distance) C4'-P energy: -69.106
bonds (distance) P-C4' energy: -60.630
flat angles C4'-P-C4' energy: -69.268
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: -80.047
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: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -846.201502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.201502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.201502 (E_RNA)
where:
Base-Base interactions energy: -577.833
where: short stacking energy: -254.593
Base-Backbone interact. energy: -1.773
local terms energy: -266.594828
where:
bonds (distance) C4'-P energy: -44.819
bonds (distance) P-C4' energy: -69.819
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -46.880
tors. eta vs tors. theta energy: -41.438
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: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -803.357323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.357323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.357323 (E_RNA)
where:
Base-Base interactions energy: -517.697
where: short stacking energy: -218.780
Base-Backbone interact. energy: -1.416
local terms energy: -284.244302
where:
bonds (distance) C4'-P energy: -55.408
bonds (distance) P-C4' energy: -70.599
flat angles C4'-P-C4' energy: -58.452
flat angles P-C4'-P energy: -48.718
tors. eta vs tors. theta energy: -51.068
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: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -522.339762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.339762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.339762 (E_RNA)
where:
Base-Base interactions energy: -299.168
where: short stacking energy: -153.996
Base-Backbone interact. energy: 0.225
local terms energy: -223.396173
where:
bonds (distance) C4'-P energy: -57.578
bonds (distance) P-C4' energy: -60.605
flat angles C4'-P-C4' energy: -53.458
flat angles P-C4'-P energy: -25.558
tors. eta vs tors. theta energy: -26.197
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: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1475.544062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.544062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.544062 (E_RNA)
where:
Base-Base interactions energy: -1053.899
where: short stacking energy: -432.192
Base-Backbone interact. energy: -1.320
local terms energy: -420.325591
where:
bonds (distance) C4'-P energy: -68.204
bonds (distance) P-C4' energy: -75.562
flat angles C4'-P-C4' energy: -89.823
flat angles P-C4'-P energy: -65.891
tors. eta vs tors. theta energy: -120.845
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: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1349.319754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.319754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.319754 (E_RNA)
where:
Base-Base interactions energy: -975.185
where: short stacking energy: -391.574
Base-Backbone interact. energy: -3.996
local terms energy: -370.138854
where:
bonds (distance) C4'-P energy: -69.983
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -88.132
flat angles P-C4'-P energy: -48.037
tors. eta vs tors. theta energy: -101.515
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: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1328.865708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.865708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.865708 (E_RNA)
where:
Base-Base interactions energy: -930.427
where: short stacking energy: -390.736
Base-Backbone interact. energy: -0.639
local terms energy: -397.800231
where:
bonds (distance) C4'-P energy: -64.542
bonds (distance) P-C4' energy: -70.316
flat angles C4'-P-C4' energy: -88.711
flat angles P-C4'-P energy: -63.259
tors. eta vs tors. theta energy: -110.973
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: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1268.083087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.083087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.083087 (E_RNA)
where:
Base-Base interactions energy: -890.485
where: short stacking energy: -390.261
Base-Backbone interact. energy: -0.481
local terms energy: -377.116455
where:
bonds (distance) C4'-P energy: -70.735
bonds (distance) P-C4' energy: -66.330
flat angles C4'-P-C4' energy: -74.247
flat angles P-C4'-P energy: -52.845
tors. eta vs tors. theta energy: -112.959
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: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1220.911137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.911137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.911137 (E_RNA)
where:
Base-Base interactions energy: -875.807
where: short stacking energy: -355.206
Base-Backbone interact. energy: -1.001
local terms energy: -344.102861
where:
bonds (distance) C4'-P energy: -56.918
bonds (distance) P-C4' energy: -66.847
flat angles C4'-P-C4' energy: -72.988
flat angles P-C4'-P energy: -57.036
tors. eta vs tors. theta energy: -90.314
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: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1174.390269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.390269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.390269 (E_RNA)
where:
Base-Base interactions energy: -842.935
where: short stacking energy: -349.804
Base-Backbone interact. energy: 0.923
local terms energy: -332.378174
where:
bonds (distance) C4'-P energy: -51.173
bonds (distance) P-C4' energy: -64.425
flat angles C4'-P-C4' energy: -74.091
flat angles P-C4'-P energy: -47.610
tors. eta vs tors. theta energy: -95.079
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: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1071.280734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.280734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.280734 (E_RNA)
where:
Base-Base interactions energy: -749.382
where: short stacking energy: -324.520
Base-Backbone interact. energy: -0.686
local terms energy: -321.212714
where:
bonds (distance) C4'-P energy: -56.020
bonds (distance) P-C4' energy: -61.009
flat angles C4'-P-C4' energy: -76.624
flat angles P-C4'-P energy: -46.086
tors. eta vs tors. theta energy: -81.473
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: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -885.276787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.276787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.276787 (E_RNA)
where:
Base-Base interactions energy: -592.634
where: short stacking energy: -259.861
Base-Backbone interact. energy: -0.621
local terms energy: -292.021649
where:
bonds (distance) C4'-P energy: -58.117
bonds (distance) P-C4' energy: -65.264
flat angles C4'-P-C4' energy: -58.116
flat angles P-C4'-P energy: -49.752
tors. eta vs tors. theta energy: -60.772
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: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -790.286740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.286740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.286740 (E_RNA)
where:
Base-Base interactions energy: -525.367
where: short stacking energy: -235.069
Base-Backbone interact. energy: -0.519
local terms energy: -264.400709
where:
bonds (distance) C4'-P energy: -57.926
bonds (distance) P-C4' energy: -54.323
flat angles C4'-P-C4' energy: -68.511
flat angles P-C4'-P energy: -35.521
tors. eta vs tors. theta energy: -48.120
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: 348
Temperature: 1.350000
Total energy: -515.467195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.467195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.467195 (E_RNA)
where:
Base-Base interactions energy: -277.629
where: short stacking energy: -152.320
Base-Backbone interact. energy: -1.069
local terms energy: -236.768771
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -68.051
flat angles C4'-P-C4' energy: -60.402
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -22.246
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: 349
Temperature: 0.900000
Total energy: -1475.415610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.415610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.415610 (E_RNA)
where:
Base-Base interactions energy: -1052.862
where: short stacking energy: -435.548
Base-Backbone interact. energy: -0.015
local terms energy: -422.538370
where:
bonds (distance) C4'-P energy: -77.617
bonds (distance) P-C4' energy: -78.770
flat angles C4'-P-C4' energy: -80.333
flat angles P-C4'-P energy: -61.399
tors. eta vs tors. theta energy: -124.418
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: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1367.797173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.797173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.797173 (E_RNA)
where:
Base-Base interactions energy: -984.531
where: short stacking energy: -408.858
Base-Backbone interact. energy: -2.206
local terms energy: -381.060254
where:
bonds (distance) C4'-P energy: -70.806
bonds (distance) P-C4' energy: -64.866
flat angles C4'-P-C4' energy: -82.360
flat angles P-C4'-P energy: -51.832
tors. eta vs tors. theta energy: -111.196
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: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1286.240728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.240728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.240728 (E_RNA)
where:
Base-Base interactions energy: -927.323
where: short stacking energy: -385.456
Base-Backbone interact. energy: -1.293
local terms energy: -357.624085
where:
bonds (distance) C4'-P energy: -65.055
bonds (distance) P-C4' energy: -68.768
flat angles C4'-P-C4' energy: -81.631
flat angles P-C4'-P energy: -45.402
tors. eta vs tors. theta energy: -96.769
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: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1285.709098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.709098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.709098 (E_RNA)
where:
Base-Base interactions energy: -898.792
where: short stacking energy: -384.548
Base-Backbone interact. energy: -2.078
local terms energy: -384.838997
where:
bonds (distance) C4'-P energy: -70.390
bonds (distance) P-C4' energy: -72.288
flat angles C4'-P-C4' energy: -82.958
flat angles P-C4'-P energy: -54.183
tors. eta vs tors. theta energy: -105.020
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: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1246.556509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.556509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.556509 (E_RNA)
where:
Base-Base interactions energy: -887.891
where: short stacking energy: -363.224
Base-Backbone interact. energy: 1.272
local terms energy: -359.937086
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -70.885
flat angles C4'-P-C4' energy: -73.710
flat angles P-C4'-P energy: -50.365
tors. eta vs tors. theta energy: -96.403
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: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1160.987738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.987738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.987738 (E_RNA)
where:
Base-Base interactions energy: -816.386
where: short stacking energy: -338.222
Base-Backbone interact. energy: -3.258
local terms energy: -341.343754
where:
bonds (distance) C4'-P energy: -53.760
bonds (distance) P-C4' energy: -65.067
flat angles C4'-P-C4' energy: -77.617
flat angles P-C4'-P energy: -53.899
tors. eta vs tors. theta energy: -91.000
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: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1055.607220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.607220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.607220 (E_RNA)
where:
Base-Base interactions energy: -735.023
where: short stacking energy: -315.658
Base-Backbone interact. energy: -0.367
local terms energy: -320.216699
where:
bonds (distance) C4'-P energy: -61.329
bonds (distance) P-C4' energy: -58.862
flat angles C4'-P-C4' energy: -67.897
flat angles P-C4'-P energy: -49.348
tors. eta vs tors. theta energy: -82.781
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: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -901.333759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.333759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.333759 (E_RNA)
where:
Base-Base interactions energy: -620.001
where: short stacking energy: -252.007
Base-Backbone interact. energy: -4.361
local terms energy: -276.972592
where:
bonds (distance) C4'-P energy: -66.722
bonds (distance) P-C4' energy: -53.591
flat angles C4'-P-C4' energy: -64.671
flat angles P-C4'-P energy: -33.883
tors. eta vs tors. theta energy: -58.105
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: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -790.129891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.129891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.129891 (E_RNA)
where:
Base-Base interactions energy: -513.483
where: short stacking energy: -229.916
Base-Backbone interact. energy: -0.656
local terms energy: -275.990532
where:
bonds (distance) C4'-P energy: -59.822
bonds (distance) P-C4' energy: -47.886
flat angles C4'-P-C4' energy: -67.104
flat angles P-C4'-P energy: -49.934
tors. eta vs tors. theta energy: -51.244
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: 349
Temperature: 1.350000
Total energy: -523.249832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.249832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.249832 (E_RNA)
where:
Base-Base interactions energy: -307.266
where: short stacking energy: -142.570
Base-Backbone interact. energy: -1.807
local terms energy: -214.177264
where:
bonds (distance) C4'-P energy: -55.564
bonds (distance) P-C4' energy: -60.655
flat angles C4'-P-C4' energy: -56.295
flat angles P-C4'-P energy: -31.408
tors. eta vs tors. theta energy: -10.256
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: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1474.574806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.574806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.574806 (E_RNA)
where:
Base-Base interactions energy: -1055.616
where: short stacking energy: -439.518
Base-Backbone interact. energy: -1.122
local terms energy: -417.836788
where:
bonds (distance) C4'-P energy: -77.113
bonds (distance) P-C4' energy: -78.857
flat angles C4'-P-C4' energy: -85.793
flat angles P-C4'-P energy: -58.636
tors. eta vs tors. theta energy: -117.436
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: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1368.657679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.657679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.657679 (E_RNA)
where:
Base-Base interactions energy: -1003.939
where: short stacking energy: -403.951
Base-Backbone interact. energy: -1.378
local terms energy: -363.341018
where:
bonds (distance) C4'-P energy: -57.099
bonds (distance) P-C4' energy: -80.176
flat angles C4'-P-C4' energy: -77.754
flat angles P-C4'-P energy: -48.325
tors. eta vs tors. theta energy: -99.987
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: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1346.597350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.597350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.597350 (E_RNA)
where:
Base-Base interactions energy: -959.924
where: short stacking energy: -408.747
Base-Backbone interact. energy: -0.222
local terms energy: -386.450800
where:
bonds (distance) C4'-P energy: -56.042
bonds (distance) P-C4' energy: -78.489
flat angles C4'-P-C4' energy: -87.140
flat angles P-C4'-P energy: -54.539
tors. eta vs tors. theta energy: -110.240
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: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1276.373189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.373189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.373189 (E_RNA)
where:
Base-Base interactions energy: -882.435
where: short stacking energy: -372.935
Base-Backbone interact. energy: -0.895
local terms energy: -393.042952
where:
bonds (distance) C4'-P energy: -75.777
bonds (distance) P-C4' energy: -74.489
flat angles C4'-P-C4' energy: -82.009
flat angles P-C4'-P energy: -54.127
tors. eta vs tors. theta energy: -106.640
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: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1257.322481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.322481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.322481 (E_RNA)
where:
Base-Base interactions energy: -896.244
where: short stacking energy: -361.030
Base-Backbone interact. energy: -0.944
local terms energy: -360.134121
where:
bonds (distance) C4'-P energy: -58.886
bonds (distance) P-C4' energy: -79.266
flat angles C4'-P-C4' energy: -76.622
flat angles P-C4'-P energy: -49.641
tors. eta vs tors. theta energy: -95.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1154.266918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.266918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.266918 (E_RNA)
where:
Base-Base interactions energy: -818.611
where: short stacking energy: -338.528
Base-Backbone interact. energy: -1.052
local terms energy: -334.603813
where:
bonds (distance) C4'-P energy: -55.667
bonds (distance) P-C4' energy: -59.466
flat angles C4'-P-C4' energy: -67.328
flat angles P-C4'-P energy: -57.077
tors. eta vs tors. theta energy: -95.066
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: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1055.272329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.272329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.272329 (E_RNA)
where:
Base-Base interactions energy: -741.051
where: short stacking energy: -324.175
Base-Backbone interact. energy: -0.651
local terms energy: -313.569533
where:
bonds (distance) C4'-P energy: -50.176
bonds (distance) P-C4' energy: -64.352
flat angles C4'-P-C4' energy: -64.505
flat angles P-C4'-P energy: -48.644
tors. eta vs tors. theta energy: -85.893
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: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -897.380910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.380910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.380910 (E_RNA)
where:
Base-Base interactions energy: -593.352
where: short stacking energy: -254.644
Base-Backbone interact. energy: -3.101
local terms energy: -300.928106
where:
bonds (distance) C4'-P energy: -68.274
bonds (distance) P-C4' energy: -59.430
flat angles C4'-P-C4' energy: -75.839
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -54.870
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: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -832.473879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.473879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.473879 (E_RNA)
where:
Base-Base interactions energy: -574.848
where: short stacking energy: -239.451
Base-Backbone interact. energy: 5.156
local terms energy: -262.782720
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -61.655
flat angles C4'-P-C4' energy: -61.462
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -32.637
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: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -641.753144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.753144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.753144 (E_RNA)
where:
Base-Base interactions energy: -423.033
where: short stacking energy: -215.502
Base-Backbone interact. energy: 1.628
local terms energy: -220.347848
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -53.201
flat angles C4'-P-C4' energy: -51.119
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -37.662
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: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1483.324180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.324180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.324180 (E_RNA)
where:
Base-Base interactions energy: -1046.832
where: short stacking energy: -432.035
Base-Backbone interact. energy: -0.576
local terms energy: -435.915890
where:
bonds (distance) C4'-P energy: -78.384
bonds (distance) P-C4' energy: -85.652
flat angles C4'-P-C4' energy: -88.812
flat angles P-C4'-P energy: -65.288
tors. eta vs tors. theta energy: -117.781
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: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1387.769196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.769196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.769196 (E_RNA)
where:
Base-Base interactions energy: -1012.944
where: short stacking energy: -400.391
Base-Backbone interact. energy: -1.827
local terms energy: -372.997467
where:
bonds (distance) C4'-P energy: -63.438
bonds (distance) P-C4' energy: -76.183
flat angles C4'-P-C4' energy: -81.228
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: -106.984
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: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1306.793732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.793732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.793732 (E_RNA)
where:
Base-Base interactions energy: -936.197
where: short stacking energy: -385.249
Base-Backbone interact. energy: -0.746
local terms energy: -369.851418
where:
bonds (distance) C4'-P energy: -66.076
bonds (distance) P-C4' energy: -73.125
flat angles C4'-P-C4' energy: -82.042
flat angles P-C4'-P energy: -50.682
tors. eta vs tors. theta energy: -97.927
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: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1284.575466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.575466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.575466 (E_RNA)
where:
Base-Base interactions energy: -906.755
where: short stacking energy: -378.847
Base-Backbone interact. energy: -0.972
local terms energy: -376.847583
where:
bonds (distance) C4'-P energy: -60.885
bonds (distance) P-C4' energy: -69.602
flat angles C4'-P-C4' energy: -84.412
flat angles P-C4'-P energy: -54.069
tors. eta vs tors. theta energy: -107.879
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: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1242.070235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.070235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.070235 (E_RNA)
where:
Base-Base interactions energy: -857.929
where: short stacking energy: -366.930
Base-Backbone interact. energy: -0.843
local terms energy: -383.298521
where:
bonds (distance) C4'-P energy: -68.676
bonds (distance) P-C4' energy: -79.604
flat angles C4'-P-C4' energy: -77.948
flat angles P-C4'-P energy: -59.907
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: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1150.487865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.487865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.487865 (E_RNA)
where:
Base-Base interactions energy: -832.600
where: short stacking energy: -347.524
Base-Backbone interact. energy: 2.225
local terms energy: -320.112913
where:
bonds (distance) C4'-P energy: -64.617
bonds (distance) P-C4' energy: -63.757
flat angles C4'-P-C4' energy: -72.493
flat angles P-C4'-P energy: -31.445
tors. eta vs tors. theta energy: -87.802
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: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1074.175537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.175537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.175537 (E_RNA)
where:
Base-Base interactions energy: -739.845
where: short stacking energy: -309.325
Base-Backbone interact. energy: -1.568
local terms energy: -332.762811
where:
bonds (distance) C4'-P energy: -63.364
bonds (distance) P-C4' energy: -64.975
flat angles C4'-P-C4' energy: -70.607
flat angles P-C4'-P energy: -53.145
tors. eta vs tors. theta energy: -80.671
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: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -837.163357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.163357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.163357 (E_RNA)
where:
Base-Base interactions energy: -541.876
where: short stacking energy: -229.608
Base-Backbone interact. energy: -1.547
local terms energy: -293.739916
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -60.008
flat angles C4'-P-C4' energy: -70.717
flat angles P-C4'-P energy: -42.274
tors. eta vs tors. theta energy: -54.998
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: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -868.479337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.479337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.479337 (E_RNA)
where:
Base-Base interactions energy: -588.507
where: short stacking energy: -243.678
Base-Backbone interact. energy: 3.836
local terms energy: -283.808993
where:
bonds (distance) C4'-P energy: -60.541
bonds (distance) P-C4' energy: -65.769
flat angles C4'-P-C4' energy: -57.828
flat angles P-C4'-P energy: -42.455
tors. eta vs tors. theta energy: -57.216
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: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -617.973996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.973996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.973996 (E_RNA)
where:
Base-Base interactions energy: -370.015
where: short stacking energy: -180.014
Base-Backbone interact. energy: -1.388
local terms energy: -246.570751
where:
bonds (distance) C4'-P energy: -66.401
bonds (distance) P-C4' energy: -58.239
flat angles C4'-P-C4' energy: -52.622
flat angles P-C4'-P energy: -36.025
tors. eta vs tors. theta energy: -33.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1467.895974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.895974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.895974 (E_RNA)
where:
Base-Base interactions energy: -1053.736
where: short stacking energy: -437.336
Base-Backbone interact. energy: -3.274
local terms energy: -410.885058
where:
bonds (distance) C4'-P energy: -64.074
bonds (distance) P-C4' energy: -77.643
flat angles C4'-P-C4' energy: -79.992
flat angles P-C4'-P energy: -62.515
tors. eta vs tors. theta energy: -126.661
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: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1381.133179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.133179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.133179 (E_RNA)
where:
Base-Base interactions energy: -988.587
where: short stacking energy: -385.111
Base-Backbone interact. energy: -4.008
local terms energy: -388.537578
where:
bonds (distance) C4'-P energy: -63.159
bonds (distance) P-C4' energy: -80.916
flat angles C4'-P-C4' energy: -85.730
flat angles P-C4'-P energy: -60.515
tors. eta vs tors. theta energy: -98.218
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: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1310.756489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.756489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.756489 (E_RNA)
where:
Base-Base interactions energy: -912.019
where: short stacking energy: -386.849
Base-Backbone interact. energy: 0.845
local terms energy: -399.582519
where:
bonds (distance) C4'-P energy: -81.743
bonds (distance) P-C4' energy: -69.518
flat angles C4'-P-C4' energy: -81.348
flat angles P-C4'-P energy: -57.188
tors. eta vs tors. theta energy: -109.787
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: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1275.268276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.268276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.268276 (E_RNA)
where:
Base-Base interactions energy: -912.321
where: short stacking energy: -379.757
Base-Backbone interact. energy: -2.204
local terms energy: -360.743358
where:
bonds (distance) C4'-P energy: -61.966
bonds (distance) P-C4' energy: -67.644
flat angles C4'-P-C4' energy: -79.341
flat angles P-C4'-P energy: -45.557
tors. eta vs tors. theta energy: -106.236
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: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1229.310882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.310882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.310882 (E_RNA)
where:
Base-Base interactions energy: -874.475
where: short stacking energy: -366.361
Base-Backbone interact. energy: -0.383
local terms energy: -354.452523
where:
bonds (distance) C4'-P energy: -64.896
bonds (distance) P-C4' energy: -68.463
flat angles C4'-P-C4' energy: -72.635
flat angles P-C4'-P energy: -48.419
tors. eta vs tors. theta energy: -100.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1188.354193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.354193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.354193 (E_RNA)
where:
Base-Base interactions energy: -839.093
where: short stacking energy: -349.993
Base-Backbone interact. energy: -0.011
local terms energy: -349.249362
where:
bonds (distance) C4'-P energy: -54.448
bonds (distance) P-C4' energy: -65.921
flat angles C4'-P-C4' energy: -85.585
flat angles P-C4'-P energy: -49.799
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: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1053.000175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.000175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.000175 (E_RNA)
where:
Base-Base interactions energy: -732.562
where: short stacking energy: -312.768
Base-Backbone interact. energy: -2.543
local terms energy: -317.895384
where:
bonds (distance) C4'-P energy: -58.106
bonds (distance) P-C4' energy: -64.380
flat angles C4'-P-C4' energy: -64.973
flat angles P-C4'-P energy: -47.405
tors. eta vs tors. theta energy: -83.032
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: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -897.593437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.593437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.593437 (E_RNA)
where:
Base-Base interactions energy: -628.440
where: short stacking energy: -280.891
Base-Backbone interact. energy: -0.271
local terms energy: -268.881625
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -59.510
flat angles C4'-P-C4' energy: -65.919
flat angles P-C4'-P energy: -37.006
tors. eta vs tors. theta energy: -52.356
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: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -896.602622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.602622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.602622 (E_RNA)
where:
Base-Base interactions energy: -615.026
where: short stacking energy: -246.669
Base-Backbone interact. energy: -0.913
local terms energy: -280.663455
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -61.548
flat angles C4'-P-C4' energy: -73.728
flat angles P-C4'-P energy: -43.336
tors. eta vs tors. theta energy: -54.629
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: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -633.442294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.442294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.442294 (E_RNA)
where:
Base-Base interactions energy: -394.926
where: short stacking energy: -167.866
Base-Backbone interact. energy: -0.888
local terms energy: -237.627816
where:
bonds (distance) C4'-P energy: -53.237
bonds (distance) P-C4' energy: -61.103
flat angles C4'-P-C4' energy: -63.113
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -22.191
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: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1468.199826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.199826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.199826 (E_RNA)
where:
Base-Base interactions energy: -1072.025
where: short stacking energy: -441.758
Base-Backbone interact. energy: -0.916
local terms energy: -395.258674
where:
bonds (distance) C4'-P energy: -65.771
bonds (distance) P-C4' energy: -76.124
flat angles C4'-P-C4' energy: -82.854
flat angles P-C4'-P energy: -54.491
tors. eta vs tors. theta energy: -116.018
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: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1335.783104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.783104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.783104 (E_RNA)
where:
Base-Base interactions energy: -933.770
where: short stacking energy: -389.719
Base-Backbone interact. energy: -1.817
local terms energy: -400.196097
where:
bonds (distance) C4'-P energy: -78.580
bonds (distance) P-C4' energy: -72.208
flat angles C4'-P-C4' energy: -84.655
flat angles P-C4'-P energy: -51.477
tors. eta vs tors. theta energy: -113.277
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: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1350.739020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.739020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.739020 (E_RNA)
where:
Base-Base interactions energy: -970.171
where: short stacking energy: -390.981
Base-Backbone interact. energy: -1.325
local terms energy: -379.243303
where:
bonds (distance) C4'-P energy: -66.874
bonds (distance) P-C4' energy: -75.070
flat angles C4'-P-C4' energy: -82.237
flat angles P-C4'-P energy: -53.026
tors. eta vs tors. theta energy: -102.036
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: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1279.388919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.388919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.388919 (E_RNA)
where:
Base-Base interactions energy: -909.711
where: short stacking energy: -379.674
Base-Backbone interact. energy: -1.188
local terms energy: -368.489669
where:
bonds (distance) C4'-P energy: -69.188
bonds (distance) P-C4' energy: -70.194
flat angles C4'-P-C4' energy: -78.001
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -105.940
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: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1250.942531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.942531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.942531 (E_RNA)
where:
Base-Base interactions energy: -875.475
where: short stacking energy: -380.527
Base-Backbone interact. energy: -1.142
local terms energy: -374.325083
where:
bonds (distance) C4'-P energy: -66.325
bonds (distance) P-C4' energy: -67.662
flat angles C4'-P-C4' energy: -78.384
flat angles P-C4'-P energy: -56.353
tors. eta vs tors. theta energy: -105.600
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: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1156.241502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.241502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.241502 (E_RNA)
where:
Base-Base interactions energy: -812.948
where: short stacking energy: -330.570
Base-Backbone interact. energy: -0.967
local terms energy: -342.326536
where:
bonds (distance) C4'-P energy: -64.164
bonds (distance) P-C4' energy: -61.837
flat angles C4'-P-C4' energy: -75.669
flat angles P-C4'-P energy: -50.948
tors. eta vs tors. theta energy: -89.708
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: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1069.571391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.571391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.571391 (E_RNA)
where:
Base-Base interactions energy: -738.734
where: short stacking energy: -302.249
Base-Backbone interact. energy: -1.395
local terms energy: -329.442537
where:
bonds (distance) C4'-P energy: -64.842
bonds (distance) P-C4' energy: -70.535
flat angles C4'-P-C4' energy: -67.448
flat angles P-C4'-P energy: -47.461
tors. eta vs tors. theta energy: -79.157
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: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -951.780135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.780135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.780135 (E_RNA)
where:
Base-Base interactions energy: -666.533
where: short stacking energy: -287.947
Base-Backbone interact. energy: -0.533
local terms energy: -284.713613
where:
bonds (distance) C4'-P energy: -63.002
bonds (distance) P-C4' energy: -56.144
flat angles C4'-P-C4' energy: -53.067
flat angles P-C4'-P energy: -43.503
tors. eta vs tors. theta energy: -68.999
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: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -843.699640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.699640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.699640 (E_RNA)
where:
Base-Base interactions energy: -593.016
where: short stacking energy: -251.447
Base-Backbone interact. energy: -0.022
local terms energy: -250.662071
where:
bonds (distance) C4'-P energy: -47.367
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -60.501
flat angles P-C4'-P energy: -40.262
tors. eta vs tors. theta energy: -48.741
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: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -677.671334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.671334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.671334 (E_RNA)
where:
Base-Base interactions energy: -424.240
where: short stacking energy: -183.799
Base-Backbone interact. energy: -1.636
local terms energy: -251.795405
where:
bonds (distance) C4'-P energy: -62.056
bonds (distance) P-C4' energy: -55.313
flat angles C4'-P-C4' energy: -62.292
flat angles P-C4'-P energy: -38.685
tors. eta vs tors. theta energy: -33.450
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: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1469.032850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.032850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.032850 (E_RNA)
where:
Base-Base interactions energy: -1052.499
where: short stacking energy: -435.204
Base-Backbone interact. energy: -0.328
local terms energy: -416.205970
where:
bonds (distance) C4'-P energy: -77.662
bonds (distance) P-C4' energy: -76.701
flat angles C4'-P-C4' energy: -85.355
flat angles P-C4'-P energy: -57.698
tors. eta vs tors. theta energy: -118.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1338.404081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.404081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.404081 (E_RNA)
where:
Base-Base interactions energy: -941.235
where: short stacking energy: -405.790
Base-Backbone interact. energy: -1.090
local terms energy: -396.078886
where:
bonds (distance) C4'-P energy: -71.393
bonds (distance) P-C4' energy: -80.479
flat angles C4'-P-C4' energy: -81.176
flat angles P-C4'-P energy: -52.020
tors. eta vs tors. theta energy: -111.011
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: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1334.014489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.014489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.014489 (E_RNA)
where:
Base-Base interactions energy: -958.905
where: short stacking energy: -380.598
Base-Backbone interact. energy: -1.817
local terms energy: -373.292962
where:
bonds (distance) C4'-P energy: -71.463
bonds (distance) P-C4' energy: -72.665
flat angles C4'-P-C4' energy: -75.573
flat angles P-C4'-P energy: -50.334
tors. eta vs tors. theta energy: -103.258
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: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1252.731015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.731015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.731015 (E_RNA)
where:
Base-Base interactions energy: -886.625
where: short stacking energy: -373.247
Base-Backbone interact. energy: -1.773
local terms energy: -364.333263
where:
bonds (distance) C4'-P energy: -68.304
bonds (distance) P-C4' energy: -71.049
flat angles C4'-P-C4' energy: -69.550
flat angles P-C4'-P energy: -54.933
tors. eta vs tors. theta energy: -100.497
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: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1225.220924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.220924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.220924 (E_RNA)
where:
Base-Base interactions energy: -871.002
where: short stacking energy: -369.479
Base-Backbone interact. energy: -1.155
local terms energy: -353.063542
where:
bonds (distance) C4'-P energy: -68.077
bonds (distance) P-C4' energy: -61.930
flat angles C4'-P-C4' energy: -75.985
flat angles P-C4'-P energy: -48.809
tors. eta vs tors. theta energy: -98.262
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: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1189.530468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.530468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.530468 (E_RNA)
where:
Base-Base interactions energy: -836.013
where: short stacking energy: -353.083
Base-Backbone interact. energy: 3.947
local terms energy: -357.463901
where:
bonds (distance) C4'-P energy: -75.976
bonds (distance) P-C4' energy: -63.281
flat angles C4'-P-C4' energy: -76.500
flat angles P-C4'-P energy: -46.849
tors. eta vs tors. theta energy: -94.858
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: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1081.625260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.625260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.625260 (E_RNA)
where:
Base-Base interactions energy: -762.388
where: short stacking energy: -304.650
Base-Backbone interact. energy: -2.288
local terms energy: -316.949370
where:
bonds (distance) C4'-P energy: -56.769
bonds (distance) P-C4' energy: -70.051
flat angles C4'-P-C4' energy: -79.858
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -73.365
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: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -995.754475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.754475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.754475 (E_RNA)
where:
Base-Base interactions energy: -699.726
where: short stacking energy: -280.252
Base-Backbone interact. energy: -0.517
local terms energy: -295.511263
where:
bonds (distance) C4'-P energy: -65.331
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -63.586
flat angles P-C4'-P energy: -44.159
tors. eta vs tors. theta energy: -63.784
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: 354
Temperature: 1.300000
Total energy: -847.734436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.734436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.734436 (E_RNA)
where:
Base-Base interactions energy: -566.339
where: short stacking energy: -250.438
Base-Backbone interact. energy: -0.596
local terms energy: -280.800122
where:
bonds (distance) C4'-P energy: -52.510
bonds (distance) P-C4' energy: -64.016
flat angles C4'-P-C4' energy: -64.018
flat angles P-C4'-P energy: -48.006
tors. eta vs tors. theta energy: -52.250
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: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -628.102551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.102551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.102551 (E_RNA)
where:
Base-Base interactions energy: -390.437
where: short stacking energy: -173.560
Base-Backbone interact. energy: 0.252
local terms energy: -237.917790
where:
bonds (distance) C4'-P energy: -63.469
bonds (distance) P-C4' energy: -57.441
flat angles C4'-P-C4' energy: -64.739
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -25.181
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: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1473.699054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.699054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.699054 (E_RNA)
where:
Base-Base interactions energy: -1055.560
where: short stacking energy: -432.244
Base-Backbone interact. energy: -1.822
local terms energy: -416.317297
where:
bonds (distance) C4'-P energy: -71.762
bonds (distance) P-C4' energy: -79.606
flat angles C4'-P-C4' energy: -87.151
flat angles P-C4'-P energy: -58.179
tors. eta vs tors. theta energy: -119.619
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: 2, replica: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1354.052780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.052780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.052780 (E_RNA)
where:
Base-Base interactions energy: -952.255
where: short stacking energy: -387.117
Base-Backbone interact. energy: -2.559
local terms energy: -399.239310
where:
bonds (distance) C4'-P energy: -71.146
bonds (distance) P-C4' energy: -76.436
flat angles C4'-P-C4' energy: -83.423
flat angles P-C4'-P energy: -53.859
tors. eta vs tors. theta energy: -114.375
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: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1292.148432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.148432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.148432 (E_RNA)
where:
Base-Base interactions energy: -898.352
where: short stacking energy: -388.180
Base-Backbone interact. energy: -0.949
local terms energy: -392.848202
where:
bonds (distance) C4'-P energy: -68.348
bonds (distance) P-C4' energy: -79.207
flat angles C4'-P-C4' energy: -81.018
flat angles P-C4'-P energy: -51.750
tors. eta vs tors. theta energy: -112.525
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: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1251.576795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.576795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.576795 (E_RNA)
where:
Base-Base interactions energy: -870.938
where: short stacking energy: -360.467
Base-Backbone interact. energy: -1.157
local terms energy: -379.482133
where:
bonds (distance) C4'-P energy: -69.938
bonds (distance) P-C4' energy: -72.765
flat angles C4'-P-C4' energy: -78.594
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -107.259
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: 355
Temperature: 1.100000
Total energy: -1254.763260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.763260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.763260 (E_RNA)
where:
Base-Base interactions energy: -895.595
where: short stacking energy: -366.778
Base-Backbone interact. energy: 0.783
local terms energy: -359.951653
where:
bonds (distance) C4'-P energy: -57.134
bonds (distance) P-C4' energy: -65.241
flat angles C4'-P-C4' energy: -81.351
flat angles P-C4'-P energy: -55.289
tors. eta vs tors. theta energy: -100.936
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: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1203.466079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.466079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.466079 (E_RNA)
where:
Base-Base interactions energy: -852.771
where: short stacking energy: -353.164
Base-Backbone interact. energy: -1.075
local terms energy: -349.619870
where:
bonds (distance) C4'-P energy: -68.335
bonds (distance) P-C4' energy: -72.207
flat angles C4'-P-C4' energy: -56.927
flat angles P-C4'-P energy: -47.718
tors. eta vs tors. theta energy: -104.432
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: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1050.417820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.417820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.417820 (E_RNA)
where:
Base-Base interactions energy: -706.966
where: short stacking energy: -292.382
Base-Backbone interact. energy: -1.929
local terms energy: -341.523198
where:
bonds (distance) C4'-P energy: -76.648
bonds (distance) P-C4' energy: -71.756
flat angles C4'-P-C4' energy: -68.194
flat angles P-C4'-P energy: -47.705
tors. eta vs tors. theta energy: -77.221
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: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -982.081494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.081494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.081494 (E_RNA)
where:
Base-Base interactions energy: -676.628
where: short stacking energy: -297.611
Base-Backbone interact. energy: 1.312
local terms energy: -306.765597
where:
bonds (distance) C4'-P energy: -62.582
bonds (distance) P-C4' energy: -65.062
flat angles C4'-P-C4' energy: -60.056
flat angles P-C4'-P energy: -49.006
tors. eta vs tors. theta energy: -70.061
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: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -855.114690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.114690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.114690 (E_RNA)
where:
Base-Base interactions energy: -600.280
where: short stacking energy: -269.047
Base-Backbone interact. energy: -2.212
local terms energy: -252.621759
where:
bonds (distance) C4'-P energy: -41.213
bonds (distance) P-C4' energy: -58.565
flat angles C4'-P-C4' energy: -53.587
flat angles P-C4'-P energy: -38.917
tors. eta vs tors. theta energy: -60.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -624.865128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.865128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.865128 (E_RNA)
where:
Base-Base interactions energy: -372.177
where: short stacking energy: -179.163
Base-Backbone interact. energy: 1.890
local terms energy: -254.577516
where:
bonds (distance) C4'-P energy: -61.971
bonds (distance) P-C4' energy: -64.989
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -37.976
tors. eta vs tors. theta energy: -31.903
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: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1474.409234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.409234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.409234 (E_RNA)
where:
Base-Base interactions energy: -1057.634
where: short stacking energy: -446.148
Base-Backbone interact. energy: -0.872
local terms energy: -415.903414
where:
bonds (distance) C4'-P energy: -79.526
bonds (distance) P-C4' energy: -61.694
flat angles C4'-P-C4' energy: -94.715
flat angles P-C4'-P energy: -59.768
tors. eta vs tors. theta energy: -120.201
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: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1361.780502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.780502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.780502 (E_RNA)
where:
Base-Base interactions energy: -983.082
where: short stacking energy: -393.428
Base-Backbone interact. energy: -0.289
local terms energy: -378.409591
where:
bonds (distance) C4'-P energy: -66.697
bonds (distance) P-C4' energy: -64.966
flat angles C4'-P-C4' energy: -79.401
flat angles P-C4'-P energy: -58.325
tors. eta vs tors. theta energy: -109.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1289.687452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.687452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.687452 (E_RNA)
where:
Base-Base interactions energy: -911.050
where: short stacking energy: -376.108
Base-Backbone interact. energy: -1.589
local terms energy: -377.048858
where:
bonds (distance) C4'-P energy: -70.747
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -83.548
flat angles P-C4'-P energy: -61.494
tors. eta vs tors. theta energy: -107.384
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: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1258.677856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.677856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.677856 (E_RNA)
where:
Base-Base interactions energy: -875.517
where: short stacking energy: -380.795
Base-Backbone interact. energy: -1.716
local terms energy: -381.444922
where:
bonds (distance) C4'-P energy: -68.610
bonds (distance) P-C4' energy: -62.054
flat angles C4'-P-C4' energy: -83.188
flat angles P-C4'-P energy: -61.022
tors. eta vs tors. theta energy: -106.570
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: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1247.742773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.742773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.742773 (E_RNA)
where:
Base-Base interactions energy: -861.887
where: short stacking energy: -361.169
Base-Backbone interact. energy: -0.304
local terms energy: -385.551634
where:
bonds (distance) C4'-P energy: -68.835
bonds (distance) P-C4' energy: -79.100
flat angles C4'-P-C4' energy: -80.539
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -104.135
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: 356
Temperature: 1.150000
Total energy: -1147.919916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.919916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.919916 (E_RNA)
where:
Base-Base interactions energy: -807.450
where: short stacking energy: -330.125
Base-Backbone interact. energy: 0.889
local terms energy: -341.358754
where:
bonds (distance) C4'-P energy: -49.217
bonds (distance) P-C4' energy: -64.246
flat angles C4'-P-C4' energy: -81.168
flat angles P-C4'-P energy: -52.608
tors. eta vs tors. theta energy: -94.120
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: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1069.932404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.932404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.932404 (E_RNA)
where:
Base-Base interactions energy: -747.681
where: short stacking energy: -321.391
Base-Backbone interact. energy: 1.984
local terms energy: -324.235857
where:
bonds (distance) C4'-P energy: -65.951
bonds (distance) P-C4' energy: -54.350
flat angles C4'-P-C4' energy: -80.639
flat angles P-C4'-P energy: -48.618
tors. eta vs tors. theta energy: -74.678
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: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1000.802471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.802471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.802471 (E_RNA)
where:
Base-Base interactions energy: -701.945
where: short stacking energy: -293.026
Base-Backbone interact. energy: -1.320
local terms energy: -297.537124
where:
bonds (distance) C4'-P energy: -63.303
bonds (distance) P-C4' energy: -60.509
flat angles C4'-P-C4' energy: -63.126
flat angles P-C4'-P energy: -45.936
tors. eta vs tors. theta energy: -64.663
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: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -791.131815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.131815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.131815 (E_RNA)
where:
Base-Base interactions energy: -518.175
where: short stacking energy: -228.584
Base-Backbone interact. energy: -1.004
local terms energy: -271.952818
where:
bonds (distance) C4'-P energy: -59.887
bonds (distance) P-C4' energy: -58.612
flat angles C4'-P-C4' energy: -60.742
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -51.152
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: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -612.621328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.621328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.621328 (E_RNA)
where:
Base-Base interactions energy: -358.388
where: short stacking energy: -162.666
Base-Backbone interact. energy: -0.337
local terms energy: -253.896117
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -66.048
flat angles C4'-P-C4' energy: -62.686
flat angles P-C4'-P energy: -41.855
tors. eta vs tors. theta energy: -31.748
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: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1460.930325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.930325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.930325 (E_RNA)
where:
Base-Base interactions energy: -1045.944
where: short stacking energy: -439.452
Base-Backbone interact. energy: -1.301
local terms energy: -413.684978
where:
bonds (distance) C4'-P energy: -68.334
bonds (distance) P-C4' energy: -77.116
flat angles C4'-P-C4' energy: -91.031
flat angles P-C4'-P energy: -57.358
tors. eta vs tors. theta energy: -119.846
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: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1351.336757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.336757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.336757 (E_RNA)
where:
Base-Base interactions energy: -966.108
where: short stacking energy: -362.129
Base-Backbone interact. energy: -1.341
local terms energy: -383.888114
where:
bonds (distance) C4'-P energy: -71.396
bonds (distance) P-C4' energy: -84.976
flat angles C4'-P-C4' energy: -73.660
flat angles P-C4'-P energy: -57.876
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: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1287.792811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.792811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.792811 (E_RNA)
where:
Base-Base interactions energy: -899.433
where: short stacking energy: -382.214
Base-Backbone interact. energy: -0.952
local terms energy: -387.408279
where:
bonds (distance) C4'-P energy: -78.621
bonds (distance) P-C4' energy: -76.595
flat angles C4'-P-C4' energy: -81.584
flat angles P-C4'-P energy: -47.305
tors. eta vs tors. theta energy: -103.303
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: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1278.024542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.024542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.024542 (E_RNA)
where:
Base-Base interactions energy: -890.873
where: short stacking energy: -380.039
Base-Backbone interact. energy: -0.466
local terms energy: -386.684823
where:
bonds (distance) C4'-P energy: -71.647
bonds (distance) P-C4' energy: -67.153
flat angles C4'-P-C4' energy: -81.771
flat angles P-C4'-P energy: -57.579
tors. eta vs tors. theta energy: -108.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1227.494585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.494585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.494585 (E_RNA)
where:
Base-Base interactions energy: -864.795
where: short stacking energy: -350.412
Base-Backbone interact. energy: -1.264
local terms energy: -361.434959
where:
bonds (distance) C4'-P energy: -68.801
bonds (distance) P-C4' energy: -80.628
flat angles C4'-P-C4' energy: -77.372
flat angles P-C4'-P energy: -44.009
tors. eta vs tors. theta energy: -90.624
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: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1150.653812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.653812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.653812 (E_RNA)
where:
Base-Base interactions energy: -804.769
where: short stacking energy: -344.602
Base-Backbone interact. energy: -0.053
local terms energy: -345.831295
where:
bonds (distance) C4'-P energy: -64.043
bonds (distance) P-C4' energy: -68.092
flat angles C4'-P-C4' energy: -70.342
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -91.688
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: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1078.011903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.011903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.011903 (E_RNA)
where:
Base-Base interactions energy: -755.711
where: short stacking energy: -318.550
Base-Backbone interact. energy: 1.612
local terms energy: -323.913175
where:
bonds (distance) C4'-P energy: -73.647
bonds (distance) P-C4' energy: -56.256
flat angles C4'-P-C4' energy: -63.699
flat angles P-C4'-P energy: -48.583
tors. eta vs tors. theta energy: -81.728
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: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1002.902135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.902135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.902135 (E_RNA)
where:
Base-Base interactions energy: -674.976
where: short stacking energy: -296.814
Base-Backbone interact. energy: -0.135
local terms energy: -327.791886
where:
bonds (distance) C4'-P energy: -60.254
bonds (distance) P-C4' energy: -67.676
flat angles C4'-P-C4' energy: -67.659
flat angles P-C4'-P energy: -51.766
tors. eta vs tors. theta energy: -80.435
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: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -816.050133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.050133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.050133 (E_RNA)
where:
Base-Base interactions energy: -535.988
where: short stacking energy: -224.903
Base-Backbone interact. energy: 0.900
local terms energy: -280.961337
where:
bonds (distance) C4'-P energy: -63.574
bonds (distance) P-C4' energy: -61.674
flat angles C4'-P-C4' energy: -63.919
flat angles P-C4'-P energy: -44.108
tors. eta vs tors. theta energy: -47.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -610.032186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.032186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.032186 (E_RNA)
where:
Base-Base interactions energy: -385.758
where: short stacking energy: -189.123
Base-Backbone interact. energy: -0.395
local terms energy: -223.878932
where:
bonds (distance) C4'-P energy: -45.682
bonds (distance) P-C4' energy: -63.231
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -32.417
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: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1465.090741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.090741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.090741 (E_RNA)
where:
Base-Base interactions energy: -1048.549
where: short stacking energy: -441.677
Base-Backbone interact. energy: -0.596
local terms energy: -415.945327
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -81.037
flat angles C4'-P-C4' energy: -87.082
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -116.520
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: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1339.363824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.363824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.363824 (E_RNA)
where:
Base-Base interactions energy: -966.471
where: short stacking energy: -364.406
Base-Backbone interact. energy: -0.078
local terms energy: -372.814341
where:
bonds (distance) C4'-P energy: -67.512
bonds (distance) P-C4' energy: -66.622
flat angles C4'-P-C4' energy: -82.956
flat angles P-C4'-P energy: -60.195
tors. eta vs tors. theta energy: -95.529
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: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1311.934677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.934677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.934677 (E_RNA)
where:
Base-Base interactions energy: -918.613
where: short stacking energy: -371.667
Base-Backbone interact. energy: -1.875
local terms energy: -391.446200
where:
bonds (distance) C4'-P energy: -77.985
bonds (distance) P-C4' energy: -70.632
flat angles C4'-P-C4' energy: -78.532
flat angles P-C4'-P energy: -55.025
tors. eta vs tors. theta energy: -109.272
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: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1290.919672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.919672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.919672 (E_RNA)
where:
Base-Base interactions energy: -903.192
where: short stacking energy: -372.012
Base-Backbone interact. energy: 0.286
local terms energy: -388.013760
where:
bonds (distance) C4'-P energy: -63.741
bonds (distance) P-C4' energy: -71.779
flat angles C4'-P-C4' energy: -89.043
flat angles P-C4'-P energy: -57.192
tors. eta vs tors. theta energy: -106.259
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: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1194.624924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.624924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.624924 (E_RNA)
where:
Base-Base interactions energy: -839.765
where: short stacking energy: -359.982
Base-Backbone interact. energy: -0.195
local terms energy: -354.664273
where:
bonds (distance) C4'-P energy: -46.571
bonds (distance) P-C4' energy: -76.197
flat angles C4'-P-C4' energy: -81.972
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: -93.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1230.351101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.351101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.351101 (E_RNA)
where:
Base-Base interactions energy: -851.546
where: short stacking energy: -373.380
Base-Backbone interact. energy: 0.586
local terms energy: -379.391372
where:
bonds (distance) C4'-P energy: -68.987
bonds (distance) P-C4' energy: -77.343
flat angles C4'-P-C4' energy: -82.246
flat angles P-C4'-P energy: -53.828
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: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1059.313423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.313423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.313423 (E_RNA)
where:
Base-Base interactions energy: -722.364
where: short stacking energy: -295.007
Base-Backbone interact. energy: -2.058
local terms energy: -334.891482
where:
bonds (distance) C4'-P energy: -67.808
bonds (distance) P-C4' energy: -66.200
flat angles C4'-P-C4' energy: -78.368
flat angles P-C4'-P energy: -50.305
tors. eta vs tors. theta energy: -72.211
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: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -999.786528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.786528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.786528 (E_RNA)
where:
Base-Base interactions energy: -694.847
where: short stacking energy: -306.175
Base-Backbone interact. energy: -1.335
local terms energy: -303.604617
where:
bonds (distance) C4'-P energy: -42.758
bonds (distance) P-C4' energy: -69.208
flat angles C4'-P-C4' energy: -72.423
flat angles P-C4'-P energy: -40.413
tors. eta vs tors. theta energy: -78.802
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: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -869.844944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.844944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.844944 (E_RNA)
where:
Base-Base interactions energy: -594.580
where: short stacking energy: -265.976
Base-Backbone interact. energy: 1.278
local terms energy: -276.542907
where:
bonds (distance) C4'-P energy: -57.916
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -61.833
flat angles P-C4'-P energy: -42.486
tors. eta vs tors. theta energy: -62.116
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: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -637.549256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.549256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.549256 (E_RNA)
where:
Base-Base interactions energy: -387.051
where: short stacking energy: -189.214
Base-Backbone interact. energy: -1.766
local terms energy: -248.732177
where:
bonds (distance) C4'-P energy: -55.739
bonds (distance) P-C4' energy: -62.192
flat angles C4'-P-C4' energy: -64.563
flat angles P-C4'-P energy: -38.136
tors. eta vs tors. theta energy: -28.101
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: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1461.276167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.276167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.276167 (E_RNA)
where:
Base-Base interactions energy: -1049.059
where: short stacking energy: -430.302
Base-Backbone interact. energy: -0.061
local terms energy: -412.156068
where:
bonds (distance) C4'-P energy: -63.217
bonds (distance) P-C4' energy: -74.446
flat angles C4'-P-C4' energy: -89.911
flat angles P-C4'-P energy: -62.800
tors. eta vs tors. theta energy: -121.782
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: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1345.388231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.388231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.388231 (E_RNA)
where:
Base-Base interactions energy: -968.026
where: short stacking energy: -390.970
Base-Backbone interact. energy: 0.775
local terms energy: -378.136985
where:
bonds (distance) C4'-P energy: -69.097
bonds (distance) P-C4' energy: -76.945
flat angles C4'-P-C4' energy: -82.276
flat angles P-C4'-P energy: -52.569
tors. eta vs tors. theta energy: -97.250
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: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1289.212876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.212876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.212876 (E_RNA)
where:
Base-Base interactions energy: -914.407
where: short stacking energy: -380.721
Base-Backbone interact. energy: 0.817
local terms energy: -375.622180
where:
bonds (distance) C4'-P energy: -74.001
bonds (distance) P-C4' energy: -71.004
flat angles C4'-P-C4' energy: -83.323
flat angles P-C4'-P energy: -50.813
tors. eta vs tors. theta energy: -96.481
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: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1280.846951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.846951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.846951 (E_RNA)
where:
Base-Base interactions energy: -894.845
where: short stacking energy: -375.570
Base-Backbone interact. energy: -0.840
local terms energy: -385.161457
where:
bonds (distance) C4'-P energy: -79.540
bonds (distance) P-C4' energy: -68.929
flat angles C4'-P-C4' energy: -78.288
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -106.283
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: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1233.299982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.299982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.299982 (E_RNA)
where:
Base-Base interactions energy: -870.965
where: short stacking energy: -363.096
Base-Backbone interact. energy: -0.800
local terms energy: -361.535240
where:
bonds (distance) C4'-P energy: -63.856
bonds (distance) P-C4' energy: -66.416
flat angles C4'-P-C4' energy: -75.178
flat angles P-C4'-P energy: -56.393
tors. eta vs tors. theta energy: -99.694
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: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1198.660692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.660692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.660692 (E_RNA)
where:
Base-Base interactions energy: -839.806
where: short stacking energy: -347.558
Base-Backbone interact. energy: -0.443
local terms energy: -358.411704
where:
bonds (distance) C4'-P energy: -63.186
bonds (distance) P-C4' energy: -64.304
flat angles C4'-P-C4' energy: -77.763
flat angles P-C4'-P energy: -53.898
tors. eta vs tors. theta energy: -99.262
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: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1063.219457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.219457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.219457 (E_RNA)
where:
Base-Base interactions energy: -750.945
where: short stacking energy: -295.957
Base-Backbone interact. energy: -1.752
local terms energy: -310.523263
where:
bonds (distance) C4'-P energy: -70.801
bonds (distance) P-C4' energy: -66.337
flat angles C4'-P-C4' energy: -71.335
flat angles P-C4'-P energy: -32.583
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: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -957.249940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.249940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.249940 (E_RNA)
where:
Base-Base interactions energy: -651.121
where: short stacking energy: -273.456
Base-Backbone interact. energy: -0.251
local terms energy: -305.877889
where:
bonds (distance) C4'-P energy: -61.906
bonds (distance) P-C4' energy: -64.419
flat angles C4'-P-C4' energy: -71.083
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -60.943
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: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -852.400132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.400132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.400132 (E_RNA)
where:
Base-Base interactions energy: -578.072
where: short stacking energy: -255.352
Base-Backbone interact. energy: -0.077
local terms energy: -274.250617
where:
bonds (distance) C4'-P energy: -54.227
bonds (distance) P-C4' energy: -62.633
flat angles C4'-P-C4' energy: -58.748
flat angles P-C4'-P energy: -45.029
tors. eta vs tors. theta energy: -53.613
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: 359
Temperature: 1.350000
Total energy: -617.707225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.707225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.707225 (E_RNA)
where:
Base-Base interactions energy: -390.022
where: short stacking energy: -173.939
Base-Backbone interact. energy: -0.479
local terms energy: -227.206235
where:
bonds (distance) C4'-P energy: -58.866
bonds (distance) P-C4' energy: -59.666
flat angles C4'-P-C4' energy: -52.576
flat angles P-C4'-P energy: -35.383
tors. eta vs tors. theta energy: -20.715
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: 360
Temperature: 0.900000
Total energy: -1466.500169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.500169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.500169 (E_RNA)
where:
Base-Base interactions energy: -1057.441
where: short stacking energy: -438.361
Base-Backbone interact. energy: -0.478
local terms energy: -408.581432
where:
bonds (distance) C4'-P energy: -69.160
bonds (distance) P-C4' energy: -79.420
flat angles C4'-P-C4' energy: -85.605
flat angles P-C4'-P energy: -56.833
tors. eta vs tors. theta energy: -117.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1362.897135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.897135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.897135 (E_RNA)
where:
Base-Base interactions energy: -998.112
where: short stacking energy: -407.927
Base-Backbone interact. energy: -0.092
local terms energy: -364.693153
where:
bonds (distance) C4'-P energy: -68.499
bonds (distance) P-C4' energy: -67.258
flat angles C4'-P-C4' energy: -81.199
flat angles P-C4'-P energy: -41.635
tors. eta vs tors. theta energy: -106.101
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: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1297.456748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.456748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.456748 (E_RNA)
where:
Base-Base interactions energy: -919.119
where: short stacking energy: -370.861
Base-Backbone interact. energy: -1.740
local terms energy: -376.597392
where:
bonds (distance) C4'-P energy: -64.315
bonds (distance) P-C4' energy: -74.100
flat angles C4'-P-C4' energy: -86.099
flat angles P-C4'-P energy: -47.527
tors. eta vs tors. theta energy: -104.556
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: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1265.024264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.024264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.024264 (E_RNA)
where:
Base-Base interactions energy: -896.902
where: short stacking energy: -372.100
Base-Backbone interact. energy: -1.186
local terms energy: -366.936671
where:
bonds (distance) C4'-P energy: -73.338
bonds (distance) P-C4' energy: -58.943
flat angles C4'-P-C4' energy: -81.655
flat angles P-C4'-P energy: -50.797
tors. eta vs tors. theta energy: -102.203
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: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1220.505596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.505596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.505596 (E_RNA)
where:
Base-Base interactions energy: -844.299
where: short stacking energy: -359.082
Base-Backbone interact. energy: -1.493
local terms energy: -374.713483
where:
bonds (distance) C4'-P energy: -58.989
bonds (distance) P-C4' energy: -68.444
flat angles C4'-P-C4' energy: -74.853
flat angles P-C4'-P energy: -58.101
tors. eta vs tors. theta energy: -114.327
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: 360
Temperature: 1.150000
Total energy: -1211.591102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.591102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.591102 (E_RNA)
where:
Base-Base interactions energy: -839.117
where: short stacking energy: -327.289
Base-Backbone interact. energy: -2.176
local terms energy: -370.297983
where:
bonds (distance) C4'-P energy: -81.279
bonds (distance) P-C4' energy: -68.397
flat angles C4'-P-C4' energy: -76.444
flat angles P-C4'-P energy: -48.319
tors. eta vs tors. theta energy: -95.859
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: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1103.163969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.163969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.163969 (E_RNA)
where:
Base-Base interactions energy: -767.836
where: short stacking energy: -328.407
Base-Backbone interact. energy: 1.414
local terms energy: -336.741873
where:
bonds (distance) C4'-P energy: -63.981
bonds (distance) P-C4' energy: -65.645
flat angles C4'-P-C4' energy: -65.984
flat angles P-C4'-P energy: -55.542
tors. eta vs tors. theta energy: -85.590
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: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1000.329315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.329315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.329315 (E_RNA)
where:
Base-Base interactions energy: -686.419
where: short stacking energy: -295.974
Base-Backbone interact. energy: -1.150
local terms energy: -312.761182
where:
bonds (distance) C4'-P energy: -61.043
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -75.580
flat angles P-C4'-P energy: -47.068
tors. eta vs tors. theta energy: -78.113
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: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -784.141785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.141785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.141785 (E_RNA)
where:
Base-Base interactions energy: -525.593
where: short stacking energy: -233.606
Base-Backbone interact. energy: 0.007
local terms energy: -258.555724
where:
bonds (distance) C4'-P energy: -58.563
bonds (distance) P-C4' energy: -66.725
flat angles C4'-P-C4' energy: -57.330
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -49.937
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: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -588.056176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.056176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.056176 (E_RNA)
where:
Base-Base interactions energy: -363.069
where: short stacking energy: -173.394
Base-Backbone interact. energy: -0.744
local terms energy: -224.243389
where:
bonds (distance) C4'-P energy: -54.861
bonds (distance) P-C4' energy: -56.628
flat angles C4'-P-C4' energy: -51.057
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1455.463837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.463837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.463837 (E_RNA)
where:
Base-Base interactions energy: -1067.553
where: short stacking energy: -437.011
Base-Backbone interact. energy: 0.828
local terms energy: -388.738378
where:
bonds (distance) C4'-P energy: -65.568
bonds (distance) P-C4' energy: -76.047
flat angles C4'-P-C4' energy: -84.268
flat angles P-C4'-P energy: -49.514
tors. eta vs tors. theta energy: -113.341
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: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1363.618886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.618886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.618886 (E_RNA)
where:
Base-Base interactions energy: -986.734
where: short stacking energy: -407.252
Base-Backbone interact. energy: -1.103
local terms energy: -375.781984
where:
bonds (distance) C4'-P energy: -68.248
bonds (distance) P-C4' energy: -62.059
flat angles C4'-P-C4' energy: -84.413
flat angles P-C4'-P energy: -59.329
tors. eta vs tors. theta energy: -101.733
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: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1304.049198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.049198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.049198 (E_RNA)
where:
Base-Base interactions energy: -923.911
where: short stacking energy: -395.382
Base-Backbone interact. energy: -0.438
local terms energy: -379.700407
where:
bonds (distance) C4'-P energy: -66.741
bonds (distance) P-C4' energy: -75.246
flat angles C4'-P-C4' energy: -80.824
flat angles P-C4'-P energy: -53.216
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: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1257.014919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.014919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.014919 (E_RNA)
where:
Base-Base interactions energy: -878.754
where: short stacking energy: -384.855
Base-Backbone interact. energy: -1.846
local terms energy: -376.415157
where:
bonds (distance) C4'-P energy: -60.058
bonds (distance) P-C4' energy: -75.469
flat angles C4'-P-C4' energy: -82.782
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -109.479
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: 5, replica: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1251.686285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.686285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.686285 (E_RNA)
where:
Base-Base interactions energy: -885.725
where: short stacking energy: -367.475
Base-Backbone interact. energy: -0.337
local terms energy: -365.623801
where:
bonds (distance) C4'-P energy: -63.326
bonds (distance) P-C4' energy: -73.036
flat angles C4'-P-C4' energy: -73.955
flat angles P-C4'-P energy: -51.715
tors. eta vs tors. theta energy: -103.593
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: 361
Temperature: 1.150000
Total energy: -1207.622095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.622095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.622095 (E_RNA)
where:
Base-Base interactions energy: -849.050
where: short stacking energy: -349.898
Base-Backbone interact. energy: -1.848
local terms energy: -356.723866
where:
bonds (distance) C4'-P energy: -58.991
bonds (distance) P-C4' energy: -59.323
flat angles C4'-P-C4' energy: -80.758
flat angles P-C4'-P energy: -56.970
tors. eta vs tors. theta energy: -100.682
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: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1082.402559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.402559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.402559 (E_RNA)
where:
Base-Base interactions energy: -746.995
where: short stacking energy: -328.365
Base-Backbone interact. energy: -0.752
local terms energy: -334.655765
where:
bonds (distance) C4'-P energy: -55.858
bonds (distance) P-C4' energy: -60.221
flat angles C4'-P-C4' energy: -75.235
flat angles P-C4'-P energy: -55.959
tors. eta vs tors. theta energy: -87.383
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: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -973.906595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.906595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.906595 (E_RNA)
where:
Base-Base interactions energy: -667.770
where: short stacking energy: -285.036
Base-Backbone interact. energy: -0.021
local terms energy: -306.115449
where:
bonds (distance) C4'-P energy: -50.149
bonds (distance) P-C4' energy: -61.741
flat angles C4'-P-C4' energy: -75.395
flat angles P-C4'-P energy: -40.344
tors. eta vs tors. theta energy: -78.486
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: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -795.101650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.101650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.101650 (E_RNA)
where:
Base-Base interactions energy: -537.358
where: short stacking energy: -234.708
Base-Backbone interact. energy: 0.759
local terms energy: -258.502588
where:
bonds (distance) C4'-P energy: -48.894
bonds (distance) P-C4' energy: -56.007
flat angles C4'-P-C4' energy: -67.935
flat angles P-C4'-P energy: -35.209
tors. eta vs tors. theta energy: -50.458
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: 361
Temperature: 1.350000
Total energy: -628.313903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.313903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.313903 (E_RNA)
where:
Base-Base interactions energy: -390.621
where: short stacking energy: -211.423
Base-Backbone interact. energy: 2.636
local terms energy: -240.328071
where:
bonds (distance) C4'-P energy: -51.625
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -55.346
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -41.365
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: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1454.375301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.375301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.375301 (E_RNA)
where:
Base-Base interactions energy: -1036.935
where: short stacking energy: -417.946
Base-Backbone interact. energy: 0.776
local terms energy: -418.216745
where:
bonds (distance) C4'-P energy: -78.947
bonds (distance) P-C4' energy: -80.666
flat angles C4'-P-C4' energy: -86.934
flat angles P-C4'-P energy: -55.894
tors. eta vs tors. theta energy: -115.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1340.570436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.570436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.570436 (E_RNA)
where:
Base-Base interactions energy: -956.522
where: short stacking energy: -374.665
Base-Backbone interact. energy: -2.370
local terms energy: -381.678369
where:
bonds (distance) C4'-P energy: -70.163
bonds (distance) P-C4' energy: -73.782
flat angles C4'-P-C4' energy: -88.950
flat angles P-C4'-P energy: -55.791
tors. eta vs tors. theta energy: -92.992
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: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1300.915889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.915889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.915889 (E_RNA)
where:
Base-Base interactions energy: -908.150
where: short stacking energy: -393.163
Base-Backbone interact. energy: -0.731
local terms energy: -392.034626
where:
bonds (distance) C4'-P energy: -63.699
bonds (distance) P-C4' energy: -80.669
flat angles C4'-P-C4' energy: -83.152
flat angles P-C4'-P energy: -51.886
tors. eta vs tors. theta energy: -112.629
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: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1261.322945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.322945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.322945 (E_RNA)
where:
Base-Base interactions energy: -872.335
where: short stacking energy: -377.004
Base-Backbone interact. energy: -1.343
local terms energy: -387.645373
where:
bonds (distance) C4'-P energy: -72.956
bonds (distance) P-C4' energy: -72.623
flat angles C4'-P-C4' energy: -82.504
flat angles P-C4'-P energy: -51.584
tors. eta vs tors. theta energy: -107.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1228.910040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.910040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.910040 (E_RNA)
where:
Base-Base interactions energy: -869.274
where: short stacking energy: -356.432
Base-Backbone interact. energy: 0.900
local terms energy: -360.536502
where:
bonds (distance) C4'-P energy: -70.085
bonds (distance) P-C4' energy: -67.433
flat angles C4'-P-C4' energy: -76.319
flat angles P-C4'-P energy: -46.838
tors. eta vs tors. theta energy: -99.861
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: 362
Temperature: 1.150000
Total energy: -1186.498830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.498830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.498830 (E_RNA)
where:
Base-Base interactions energy: -822.537
where: short stacking energy: -353.781
Base-Backbone interact. energy: -1.715
local terms energy: -362.246571
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -73.124
flat angles C4'-P-C4' energy: -78.150
flat angles P-C4'-P energy: -55.035
tors. eta vs tors. theta energy: -97.538
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: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1086.793717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.793717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.793717 (E_RNA)
where:
Base-Base interactions energy: -769.255
where: short stacking energy: -296.440
Base-Backbone interact. energy: 1.173
local terms energy: -318.711344
where:
bonds (distance) C4'-P energy: -57.192
bonds (distance) P-C4' energy: -71.124
flat angles C4'-P-C4' energy: -70.845
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -75.765
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: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -977.223730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.223730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.223730 (E_RNA)
where:
Base-Base interactions energy: -668.846
where: short stacking energy: -296.763
Base-Backbone interact. energy: -1.710
local terms energy: -306.667740
where:
bonds (distance) C4'-P energy: -54.712
bonds (distance) P-C4' energy: -69.299
flat angles C4'-P-C4' energy: -66.861
flat angles P-C4'-P energy: -46.739
tors. eta vs tors. theta energy: -69.057
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: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -796.790009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.790009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.790009 (E_RNA)
where:
Base-Base interactions energy: -512.668
where: short stacking energy: -222.637
Base-Backbone interact. energy: -0.477
local terms energy: -283.645339
where:
bonds (distance) C4'-P energy: -54.986
bonds (distance) P-C4' energy: -63.885
flat angles C4'-P-C4' energy: -67.522
flat angles P-C4'-P energy: -47.466
tors. eta vs tors. theta energy: -49.786
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: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -621.779183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.779183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.779183 (E_RNA)
where:
Base-Base interactions energy: -383.967
where: short stacking energy: -185.171
Base-Backbone interact. energy: 2.306
local terms energy: -240.118032
where:
bonds (distance) C4'-P energy: -62.890
bonds (distance) P-C4' energy: -57.445
flat angles C4'-P-C4' energy: -57.672
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -19.341
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: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1477.007343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.007343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.007343 (E_RNA)
where:
Base-Base interactions energy: -1063.507
where: short stacking energy: -438.939
Base-Backbone interact. energy: -0.274
local terms energy: -413.225755
where:
bonds (distance) C4'-P energy: -77.635
bonds (distance) P-C4' energy: -70.064
flat angles C4'-P-C4' energy: -87.530
flat angles P-C4'-P energy: -54.491
tors. eta vs tors. theta energy: -123.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1345.744515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.744515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.744515 (E_RNA)
where:
Base-Base interactions energy: -952.719
where: short stacking energy: -382.790
Base-Backbone interact. energy: -1.695
local terms energy: -391.331163
where:
bonds (distance) C4'-P energy: -78.737
bonds (distance) P-C4' energy: -69.580
flat angles C4'-P-C4' energy: -77.435
flat angles P-C4'-P energy: -60.207
tors. eta vs tors. theta energy: -105.371
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: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1319.874449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.874449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.874449 (E_RNA)
where:
Base-Base interactions energy: -934.023
where: short stacking energy: -401.658
Base-Backbone interact. energy: -2.018
local terms energy: -383.834086
where:
bonds (distance) C4'-P energy: -58.723
bonds (distance) P-C4' energy: -72.584
flat angles C4'-P-C4' energy: -82.878
flat angles P-C4'-P energy: -54.147
tors. eta vs tors. theta energy: -115.502
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: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1260.727975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.727975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.727975 (E_RNA)
where:
Base-Base interactions energy: -890.756
where: short stacking energy: -387.098
Base-Backbone interact. energy: -0.674
local terms energy: -369.297234
where:
bonds (distance) C4'-P energy: -69.130
bonds (distance) P-C4' energy: -70.801
flat angles C4'-P-C4' energy: -77.856
flat angles P-C4'-P energy: -43.884
tors. eta vs tors. theta energy: -107.626
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: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1240.221494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.221494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.221494 (E_RNA)
where:
Base-Base interactions energy: -879.571
where: short stacking energy: -346.863
Base-Backbone interact. energy: -1.696
local terms energy: -358.954969
where:
bonds (distance) C4'-P energy: -71.518
bonds (distance) P-C4' energy: -62.256
flat angles C4'-P-C4' energy: -80.079
flat angles P-C4'-P energy: -49.740
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: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1172.418044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.418044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.418044 (E_RNA)
where:
Base-Base interactions energy: -819.434
where: short stacking energy: -349.068
Base-Backbone interact. energy: -0.996
local terms energy: -351.988106
where:
bonds (distance) C4'-P energy: -62.444
bonds (distance) P-C4' energy: -73.653
flat angles C4'-P-C4' energy: -75.015
flat angles P-C4'-P energy: -46.701
tors. eta vs tors. theta energy: -94.176
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: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1100.350467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.350467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.350467 (E_RNA)
where:
Base-Base interactions energy: -776.536
where: short stacking energy: -316.236
Base-Backbone interact. energy: 0.328
local terms energy: -324.142495
where:
bonds (distance) C4'-P energy: -57.301
bonds (distance) P-C4' energy: -67.742
flat angles C4'-P-C4' energy: -62.428
flat angles P-C4'-P energy: -49.106
tors. eta vs tors. theta energy: -87.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1015.872070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.872070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.872070 (E_RNA)
where:
Base-Base interactions energy: -717.843
where: short stacking energy: -302.728
Base-Backbone interact. energy: 1.884
local terms energy: -299.912745
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -73.558
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -77.659
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: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -778.689257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.689257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.689257 (E_RNA)
where:
Base-Base interactions energy: -522.410
where: short stacking energy: -226.797
Base-Backbone interact. energy: -1.319
local terms energy: -254.960465
where:
bonds (distance) C4'-P energy: -67.780
bonds (distance) P-C4' energy: -56.972
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: -45.558
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: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -656.186892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.186892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.186892 (E_RNA)
where:
Base-Base interactions energy: -390.009
where: short stacking energy: -185.772
Base-Backbone interact. energy: -1.622
local terms energy: -264.554952
where:
bonds (distance) C4'-P energy: -63.082
bonds (distance) P-C4' energy: -57.395
flat angles C4'-P-C4' energy: -74.900
flat angles P-C4'-P energy: -42.096
tors. eta vs tors. theta energy: -27.082
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: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1487.137136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.137136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.137136 (E_RNA)
where:
Base-Base interactions energy: -1071.299
where: short stacking energy: -441.001
Base-Backbone interact. energy: -0.784
local terms energy: -415.053827
where:
bonds (distance) C4'-P energy: -74.282
bonds (distance) P-C4' energy: -73.749
flat angles C4'-P-C4' energy: -83.962
flat angles P-C4'-P energy: -57.339
tors. eta vs tors. theta energy: -125.723
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: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1339.621984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.621984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.621984 (E_RNA)
where:
Base-Base interactions energy: -941.561
where: short stacking energy: -385.241
Base-Backbone interact. energy: 0.463
local terms energy: -398.524279
where:
bonds (distance) C4'-P energy: -72.353
bonds (distance) P-C4' energy: -81.039
flat angles C4'-P-C4' energy: -89.767
flat angles P-C4'-P energy: -57.940
tors. eta vs tors. theta energy: -97.426
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: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1338.223984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.223984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.223984 (E_RNA)
where:
Base-Base interactions energy: -941.346
where: short stacking energy: -408.714
Base-Backbone interact. energy: -0.745
local terms energy: -396.132861
where:
bonds (distance) C4'-P energy: -72.145
bonds (distance) P-C4' energy: -76.370
flat angles C4'-P-C4' energy: -84.641
flat angles P-C4'-P energy: -42.298
tors. eta vs tors. theta energy: -120.679
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: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1249.469140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.469140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.469140 (E_RNA)
where:
Base-Base interactions energy: -860.886
where: short stacking energy: -375.357
Base-Backbone interact. energy: -2.063
local terms energy: -386.519946
where:
bonds (distance) C4'-P energy: -67.100
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -80.239
flat angles P-C4'-P energy: -57.123
tors. eta vs tors. theta energy: -106.918
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: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1233.931470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.931470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.931470 (E_RNA)
where:
Base-Base interactions energy: -893.473
where: short stacking energy: -375.165
Base-Backbone interact. energy: -0.721
local terms energy: -339.737752
where:
bonds (distance) C4'-P energy: -64.207
bonds (distance) P-C4' energy: -54.035
flat angles C4'-P-C4' energy: -73.629
flat angles P-C4'-P energy: -43.307
tors. eta vs tors. theta energy: -104.560
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: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1249.646729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.646729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.646729 (E_RNA)
where:
Base-Base interactions energy: -871.671
where: short stacking energy: -352.043
Base-Backbone interact. energy: -0.223
local terms energy: -377.752275
where:
bonds (distance) C4'-P energy: -64.691
bonds (distance) P-C4' energy: -71.328
flat angles C4'-P-C4' energy: -88.437
flat angles P-C4'-P energy: -48.229
tors. eta vs tors. theta energy: -105.067
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: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1105.650248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.650248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.650248 (E_RNA)
where:
Base-Base interactions energy: -768.083
where: short stacking energy: -321.407
Base-Backbone interact. energy: -0.630
local terms energy: -336.936488
where:
bonds (distance) C4'-P energy: -66.755
bonds (distance) P-C4' energy: -63.878
flat angles C4'-P-C4' energy: -68.365
flat angles P-C4'-P energy: -44.696
tors. eta vs tors. theta energy: -93.242
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: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1003.813142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.813142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.813142 (E_RNA)
where:
Base-Base interactions energy: -683.205
where: short stacking energy: -315.970
Base-Backbone interact. energy: 0.633
local terms energy: -321.240779
where:
bonds (distance) C4'-P energy: -66.334
bonds (distance) P-C4' energy: -54.191
flat angles C4'-P-C4' energy: -65.514
flat angles P-C4'-P energy: -46.361
tors. eta vs tors. theta energy: -88.840
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: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -703.331090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.331090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.331090 (E_RNA)
where:
Base-Base interactions energy: -440.082
where: short stacking energy: -200.155
Base-Backbone interact. energy: -2.432
local terms energy: -260.816914
where:
bonds (distance) C4'-P energy: -61.188
bonds (distance) P-C4' energy: -60.237
flat angles C4'-P-C4' energy: -66.251
flat angles P-C4'-P energy: -33.393
tors. eta vs tors. theta energy: -39.748
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: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -612.155165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.155165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.155165 (E_RNA)
where:
Base-Base interactions energy: -371.347
where: short stacking energy: -183.598
Base-Backbone interact. energy: -1.165
local terms energy: -239.642963
where:
bonds (distance) C4'-P energy: -40.161
bonds (distance) P-C4' energy: -56.897
flat angles C4'-P-C4' energy: -66.502
flat angles P-C4'-P energy: -46.390
tors. eta vs tors. theta energy: -29.693
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: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1479.328441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.328441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.328441 (E_RNA)
where:
Base-Base interactions energy: -1068.271
where: short stacking energy: -438.891
Base-Backbone interact. energy: -0.983
local terms energy: -410.075048
where:
bonds (distance) C4'-P energy: -72.201
bonds (distance) P-C4' energy: -78.358
flat angles C4'-P-C4' energy: -78.848
flat angles P-C4'-P energy: -53.899
tors. eta vs tors. theta energy: -126.768
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: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1348.461055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.461055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.461055 (E_RNA)
where:
Base-Base interactions energy: -940.482
where: short stacking energy: -401.448
Base-Backbone interact. energy: -2.116
local terms energy: -405.863092
where:
bonds (distance) C4'-P energy: -75.452
bonds (distance) P-C4' energy: -81.658
flat angles C4'-P-C4' energy: -83.572
flat angles P-C4'-P energy: -52.118
tors. eta vs tors. theta energy: -113.063
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: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1336.418333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.418333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.418333 (E_RNA)
where:
Base-Base interactions energy: -953.297
where: short stacking energy: -393.092
Base-Backbone interact. energy: -3.783
local terms energy: -379.338539
where:
bonds (distance) C4'-P energy: -64.544
bonds (distance) P-C4' energy: -72.189
flat angles C4'-P-C4' energy: -84.725
flat angles P-C4'-P energy: -52.139
tors. eta vs tors. theta energy: -105.742
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: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1280.814425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.814425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.814425 (E_RNA)
where:
Base-Base interactions energy: -906.768
where: short stacking energy: -373.521
Base-Backbone interact. energy: -1.234
local terms energy: -372.812755
where:
bonds (distance) C4'-P energy: -70.025
bonds (distance) P-C4' energy: -61.108
flat angles C4'-P-C4' energy: -83.168
flat angles P-C4'-P energy: -56.603
tors. eta vs tors. theta energy: -101.909
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: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1207.066463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.066463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.066463 (E_RNA)
where:
Base-Base interactions energy: -859.218
where: short stacking energy: -366.455
Base-Backbone interact. energy: -0.361
local terms energy: -347.487480
where:
bonds (distance) C4'-P energy: -57.146
bonds (distance) P-C4' energy: -64.279
flat angles C4'-P-C4' energy: -70.709
flat angles P-C4'-P energy: -59.900
tors. eta vs tors. theta energy: -95.454
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: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1194.409515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.409515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.409515 (E_RNA)
where:
Base-Base interactions energy: -857.540
where: short stacking energy: -358.325
Base-Backbone interact. energy: 0.914
local terms energy: -337.783668
where:
bonds (distance) C4'-P energy: -58.966
bonds (distance) P-C4' energy: -60.057
flat angles C4'-P-C4' energy: -81.899
flat angles P-C4'-P energy: -39.884
tors. eta vs tors. theta energy: -96.978
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: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1098.832696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.832696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.832696 (E_RNA)
where:
Base-Base interactions energy: -772.182
where: short stacking energy: -328.977
Base-Backbone interact. energy: 5.975
local terms energy: -332.625928
where:
bonds (distance) C4'-P energy: -61.637
bonds (distance) P-C4' energy: -58.935
flat angles C4'-P-C4' energy: -75.070
flat angles P-C4'-P energy: -46.040
tors. eta vs tors. theta energy: -90.944
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: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1059.320885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.320885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.320885 (E_RNA)
where:
Base-Base interactions energy: -768.787
where: short stacking energy: -322.510
Base-Backbone interact. energy: 0.511
local terms energy: -291.044604
where:
bonds (distance) C4'-P energy: -43.560
bonds (distance) P-C4' energy: -43.102
flat angles C4'-P-C4' energy: -81.742
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: -81.259
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: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -669.278512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.278512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.278512 (E_RNA)
where:
Base-Base interactions energy: -423.162
where: short stacking energy: -181.463
Base-Backbone interact. energy: 1.470
local terms energy: -247.585812
where:
bonds (distance) C4'-P energy: -61.057
bonds (distance) P-C4' energy: -62.979
flat angles C4'-P-C4' energy: -60.678
flat angles P-C4'-P energy: -41.434
tors. eta vs tors. theta energy: -21.438
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: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -624.096512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.096512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.096512 (E_RNA)
where:
Base-Base interactions energy: -380.497
where: short stacking energy: -194.940
Base-Backbone interact. energy: 1.274
local terms energy: -244.873961
where:
bonds (distance) C4'-P energy: -63.796
bonds (distance) P-C4' energy: -56.110
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -41.558
tors. eta vs tors. theta energy: -26.577
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: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1475.188460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.188460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.188460 (E_RNA)
where:
Base-Base interactions energy: -1056.989
where: short stacking energy: -446.108
Base-Backbone interact. energy: 0.547
local terms energy: -418.746429
where:
bonds (distance) C4'-P energy: -64.413
bonds (distance) P-C4' energy: -76.568
flat angles C4'-P-C4' energy: -87.302
flat angles P-C4'-P energy: -65.736
tors. eta vs tors. theta energy: -124.727
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: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1316.213848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.213848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.213848 (E_RNA)
where:
Base-Base interactions energy: -915.181
where: short stacking energy: -382.568
Base-Backbone interact. energy: -0.761
local terms energy: -400.272526
where:
bonds (distance) C4'-P energy: -83.450
bonds (distance) P-C4' energy: -75.737
flat angles C4'-P-C4' energy: -83.693
flat angles P-C4'-P energy: -48.304
tors. eta vs tors. theta energy: -109.088
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: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1316.786625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.786625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.786625 (E_RNA)
where:
Base-Base interactions energy: -932.747
where: short stacking energy: -385.534
Base-Backbone interact. energy: 0.065
local terms energy: -384.104697
where:
bonds (distance) C4'-P energy: -63.244
bonds (distance) P-C4' energy: -74.106
flat angles C4'-P-C4' energy: -87.244
flat angles P-C4'-P energy: -56.466
tors. eta vs tors. theta energy: -103.044
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: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1264.713504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.713504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.713504 (E_RNA)
where:
Base-Base interactions energy: -894.638
where: short stacking energy: -386.393
Base-Backbone interact. energy: -2.043
local terms energy: -368.032359
where:
bonds (distance) C4'-P energy: -58.432
bonds (distance) P-C4' energy: -72.058
flat angles C4'-P-C4' energy: -79.448
flat angles P-C4'-P energy: -46.728
tors. eta vs tors. theta energy: -111.366
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: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1246.762301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.762301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.762301 (E_RNA)
where:
Base-Base interactions energy: -886.949
where: short stacking energy: -366.648
Base-Backbone interact. energy: -1.579
local terms energy: -358.234194
where:
bonds (distance) C4'-P energy: -62.789
bonds (distance) P-C4' energy: -63.877
flat angles C4'-P-C4' energy: -80.649
flat angles P-C4'-P energy: -47.734
tors. eta vs tors. theta energy: -103.185
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: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1195.814194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.814194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.814194 (E_RNA)
where:
Base-Base interactions energy: -846.012
where: short stacking energy: -351.671
Base-Backbone interact. energy: 0.300
local terms energy: -350.101850
where:
bonds (distance) C4'-P energy: -78.577
bonds (distance) P-C4' energy: -56.720
flat angles C4'-P-C4' energy: -76.800
flat angles P-C4'-P energy: -41.976
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: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1088.476788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.476788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.476788 (E_RNA)
where:
Base-Base interactions energy: -756.723
where: short stacking energy: -332.762
Base-Backbone interact. energy: -1.806
local terms energy: -329.947144
where:
bonds (distance) C4'-P energy: -57.883
bonds (distance) P-C4' energy: -72.588
flat angles C4'-P-C4' energy: -73.049
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -77.316
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: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1000.930672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.930672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.930672 (E_RNA)
where:
Base-Base interactions energy: -713.302
where: short stacking energy: -302.342
Base-Backbone interact. energy: -0.249
local terms energy: -287.380004
where:
bonds (distance) C4'-P energy: -51.981
bonds (distance) P-C4' energy: -51.678
flat angles C4'-P-C4' energy: -65.924
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -75.348
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: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -641.683623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.683623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.683623 (E_RNA)
where:
Base-Base interactions energy: -377.273
where: short stacking energy: -175.209
Base-Backbone interact. energy: -0.594
local terms energy: -263.816278
where:
bonds (distance) C4'-P energy: -80.810
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -65.617
flat angles P-C4'-P energy: -33.970
tors. eta vs tors. theta energy: -31.559
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: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -620.516354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.516354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.516354 (E_RNA)
where:
Base-Base interactions energy: -398.650
where: short stacking energy: -183.021
Base-Backbone interact. energy: -0.757
local terms energy: -221.108959
where:
bonds (distance) C4'-P energy: -54.136
bonds (distance) P-C4' energy: -47.879
flat angles C4'-P-C4' energy: -74.387
flat angles P-C4'-P energy: -29.274
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1476.802786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.802786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.802786 (E_RNA)
where:
Base-Base interactions energy: -1071.735
where: short stacking energy: -453.758
Base-Backbone interact. energy: 0.250
local terms energy: -405.317765
where:
bonds (distance) C4'-P energy: -79.071
bonds (distance) P-C4' energy: -73.667
flat angles C4'-P-C4' energy: -83.376
flat angles P-C4'-P energy: -48.597
tors. eta vs tors. theta energy: -120.607
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: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1339.038704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.038704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.038704 (E_RNA)
where:
Base-Base interactions energy: -945.316
where: short stacking energy: -399.640
Base-Backbone interact. energy: 2.985
local terms energy: -396.707584
where:
bonds (distance) C4'-P energy: -77.590
bonds (distance) P-C4' energy: -69.106
flat angles C4'-P-C4' energy: -82.567
flat angles P-C4'-P energy: -59.371
tors. eta vs tors. theta energy: -108.074
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: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1310.770617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.770617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.770617 (E_RNA)
where:
Base-Base interactions energy: -945.191
where: short stacking energy: -375.223
Base-Backbone interact. energy: -1.906
local terms energy: -363.674204
where:
bonds (distance) C4'-P energy: -60.888
bonds (distance) P-C4' energy: -75.091
flat angles C4'-P-C4' energy: -78.815
flat angles P-C4'-P energy: -56.274
tors. eta vs tors. theta energy: -92.606
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: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1272.833629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.833629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.833629 (E_RNA)
where:
Base-Base interactions energy: -899.708
where: short stacking energy: -377.446
Base-Backbone interact. energy: -0.410
local terms energy: -372.715957
where:
bonds (distance) C4'-P energy: -73.286
bonds (distance) P-C4' energy: -65.745
flat angles C4'-P-C4' energy: -71.274
flat angles P-C4'-P energy: -50.060
tors. eta vs tors. theta energy: -112.350
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: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1262.225951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.225951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.225951 (E_RNA)
where:
Base-Base interactions energy: -886.448
where: short stacking energy: -367.321
Base-Backbone interact. energy: -1.147
local terms energy: -374.631250
where:
bonds (distance) C4'-P energy: -67.361
bonds (distance) P-C4' energy: -68.458
flat angles C4'-P-C4' energy: -74.408
flat angles P-C4'-P energy: -51.350
tors. eta vs tors. theta energy: -113.054
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: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1176.694134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.694134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.694134 (E_RNA)
where:
Base-Base interactions energy: -823.225
where: short stacking energy: -357.167
Base-Backbone interact. energy: -1.106
local terms energy: -352.362991
where:
bonds (distance) C4'-P energy: -72.575
bonds (distance) P-C4' energy: -63.406
flat angles C4'-P-C4' energy: -74.839
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -97.938
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: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1098.668602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.668602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.668602 (E_RNA)
where:
Base-Base interactions energy: -775.401
where: short stacking energy: -339.074
Base-Backbone interact. energy: -0.305
local terms energy: -322.962507
where:
bonds (distance) C4'-P energy: -51.059
bonds (distance) P-C4' energy: -59.753
flat angles C4'-P-C4' energy: -75.169
flat angles P-C4'-P energy: -44.985
tors. eta vs tors. theta energy: -91.996
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: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -984.995312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.995312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.995312 (E_RNA)
where:
Base-Base interactions energy: -680.257
where: short stacking energy: -292.413
Base-Backbone interact. energy: 0.387
local terms energy: -305.125152
where:
bonds (distance) C4'-P energy: -44.737
bonds (distance) P-C4' energy: -74.606
flat angles C4'-P-C4' energy: -62.785
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -77.262
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: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -614.817964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.817964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.817964 (E_RNA)
where:
Base-Base interactions energy: -373.285
where: short stacking energy: -196.141
Base-Backbone interact. energy: 0.212
local terms energy: -241.744964
where:
bonds (distance) C4'-P energy: -53.169
bonds (distance) P-C4' energy: -68.008
flat angles C4'-P-C4' energy: -51.479
flat angles P-C4'-P energy: -41.815
tors. eta vs tors. theta energy: -27.273
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: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -601.836035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.836035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.836035 (E_RNA)
where:
Base-Base interactions energy: -397.111
where: short stacking energy: -186.340
Base-Backbone interact. energy: -2.800
local terms energy: -201.925407
where:
bonds (distance) C4'-P energy: -53.077
bonds (distance) P-C4' energy: -49.305
flat angles C4'-P-C4' energy: -41.843
flat angles P-C4'-P energy: -33.055
tors. eta vs tors. theta energy: -24.645
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: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1488.331939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.331939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.331939 (E_RNA)
where:
Base-Base interactions energy: -1076.446
where: short stacking energy: -451.872
Base-Backbone interact. energy: -0.374
local terms energy: -411.511563
where:
bonds (distance) C4'-P energy: -71.954
bonds (distance) P-C4' energy: -68.491
flat angles C4'-P-C4' energy: -83.548
flat angles P-C4'-P energy: -61.314
tors. eta vs tors. theta energy: -126.204
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: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1336.447860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.447860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.447860 (E_RNA)
where:
Base-Base interactions energy: -933.829
where: short stacking energy: -401.255
Base-Backbone interact. energy: 3.034
local terms energy: -405.653117
where:
bonds (distance) C4'-P energy: -75.323
bonds (distance) P-C4' energy: -79.109
flat angles C4'-P-C4' energy: -87.370
flat angles P-C4'-P energy: -49.720
tors. eta vs tors. theta energy: -114.131
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: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1290.883813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.883813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.883813 (E_RNA)
where:
Base-Base interactions energy: -908.587
where: short stacking energy: -363.274
Base-Backbone interact. energy: -1.289
local terms energy: -381.008209
where:
bonds (distance) C4'-P energy: -65.651
bonds (distance) P-C4' energy: -70.847
flat angles C4'-P-C4' energy: -83.118
flat angles P-C4'-P energy: -58.566
tors. eta vs tors. theta energy: -102.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1276.724839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.724839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.724839 (E_RNA)
where:
Base-Base interactions energy: -891.827
where: short stacking energy: -377.270
Base-Backbone interact. energy: -0.315
local terms energy: -384.583034
where:
bonds (distance) C4'-P energy: -64.811
bonds (distance) P-C4' energy: -74.864
flat angles C4'-P-C4' energy: -86.434
flat angles P-C4'-P energy: -52.541
tors. eta vs tors. theta energy: -105.934
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: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1299.301250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.301250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.301250 (E_RNA)
where:
Base-Base interactions energy: -923.598
where: short stacking energy: -401.482
Base-Backbone interact. energy: -0.984
local terms energy: -374.719892
where:
bonds (distance) C4'-P energy: -61.407
bonds (distance) P-C4' energy: -66.213
flat angles C4'-P-C4' energy: -79.291
flat angles P-C4'-P energy: -50.825
tors. eta vs tors. theta energy: -116.984
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: 368
Temperature: 1.150000
Total energy: -1187.519634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.519634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.519634 (E_RNA)
where:
Base-Base interactions energy: -839.488
where: short stacking energy: -348.201
Base-Backbone interact. energy: 1.679
local terms energy: -349.710548
where:
bonds (distance) C4'-P energy: -63.241
bonds (distance) P-C4' energy: -64.817
flat angles C4'-P-C4' energy: -79.622
flat angles P-C4'-P energy: -42.880
tors. eta vs tors. theta energy: -99.150
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: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1077.289142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.289142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.289142 (E_RNA)
where:
Base-Base interactions energy: -743.463
where: short stacking energy: -308.853
Base-Backbone interact. energy: 0.778
local terms energy: -334.603880
where:
bonds (distance) C4'-P energy: -60.254
bonds (distance) P-C4' energy: -73.075
flat angles C4'-P-C4' energy: -70.337
flat angles P-C4'-P energy: -53.528
tors. eta vs tors. theta energy: -77.410
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: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -955.822847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.822847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.822847 (E_RNA)
where:
Base-Base interactions energy: -653.296
where: short stacking energy: -273.008
Base-Backbone interact. energy: 0.119
local terms energy: -302.646755
where:
bonds (distance) C4'-P energy: -65.948
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -71.163
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -66.335
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: 368
Temperature: 1.300000
Total energy: -594.405369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.405369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.405369 (E_RNA)
where:
Base-Base interactions energy: -364.445
where: short stacking energy: -167.136
Base-Backbone interact. energy: 4.243
local terms energy: -234.203425
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -61.664
flat angles C4'-P-C4' energy: -59.477
flat angles P-C4'-P energy: -37.232
tors. eta vs tors. theta energy: -25.544
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: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -602.319723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.319723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.319723 (E_RNA)
where:
Base-Base interactions energy: -361.525
where: short stacking energy: -157.133
Base-Backbone interact. energy: -0.274
local terms energy: -240.520582
where:
bonds (distance) C4'-P energy: -64.142
bonds (distance) P-C4' energy: -58.200
flat angles C4'-P-C4' energy: -62.077
flat angles P-C4'-P energy: -26.724
tors. eta vs tors. theta energy: -29.377
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: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1480.457844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.457844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.457844 (E_RNA)
where:
Base-Base interactions energy: -1059.555
where: short stacking energy: -435.974
Base-Backbone interact. energy: -2.164
local terms energy: -418.738573
where:
bonds (distance) C4'-P energy: -65.490
bonds (distance) P-C4' energy: -77.002
flat angles C4'-P-C4' energy: -88.781
flat angles P-C4'-P energy: -59.035
tors. eta vs tors. theta energy: -128.430
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: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1338.501906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.501906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.501906 (E_RNA)
where:
Base-Base interactions energy: -939.698
where: short stacking energy: -408.141
Base-Backbone interact. energy: -0.588
local terms energy: -398.216468
where:
bonds (distance) C4'-P energy: -78.101
bonds (distance) P-C4' energy: -71.928
flat angles C4'-P-C4' energy: -79.913
flat angles P-C4'-P energy: -57.582
tors. eta vs tors. theta energy: -110.693
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: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1321.037106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.037106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.037106 (E_RNA)
where:
Base-Base interactions energy: -950.173
where: short stacking energy: -378.814
Base-Backbone interact. energy: -1.700
local terms energy: -369.164518
where:
bonds (distance) C4'-P energy: -70.779
bonds (distance) P-C4' energy: -64.632
flat angles C4'-P-C4' energy: -78.368
flat angles P-C4'-P energy: -54.011
tors. eta vs tors. theta energy: -101.374
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: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1282.643521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.643521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.643521 (E_RNA)
where:
Base-Base interactions energy: -905.784
where: short stacking energy: -383.923
Base-Backbone interact. energy: -1.602
local terms energy: -375.257253
where:
bonds (distance) C4'-P energy: -71.535
bonds (distance) P-C4' energy: -69.364
flat angles C4'-P-C4' energy: -84.464
flat angles P-C4'-P energy: -48.246
tors. eta vs tors. theta energy: -101.647
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: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1239.047215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.047215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.047215 (E_RNA)
where:
Base-Base interactions energy: -879.475
where: short stacking energy: -389.312
Base-Backbone interact. energy: -0.066
local terms energy: -359.506151
where:
bonds (distance) C4'-P energy: -69.944
bonds (distance) P-C4' energy: -64.299
flat angles C4'-P-C4' energy: -67.071
flat angles P-C4'-P energy: -52.254
tors. eta vs tors. theta energy: -105.938
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: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1172.838176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.838176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.838176 (E_RNA)
where:
Base-Base interactions energy: -824.191
where: short stacking energy: -337.105
Base-Backbone interact. energy: -3.908
local terms energy: -344.738677
where:
bonds (distance) C4'-P energy: -58.392
bonds (distance) P-C4' energy: -69.711
flat angles C4'-P-C4' energy: -72.405
flat angles P-C4'-P energy: -48.844
tors. eta vs tors. theta energy: -95.388
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: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1038.446739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.446739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.446739 (E_RNA)
where:
Base-Base interactions energy: -712.298
where: short stacking energy: -308.219
Base-Backbone interact. energy: -0.221
local terms energy: -325.928004
where:
bonds (distance) C4'-P energy: -71.572
bonds (distance) P-C4' energy: -64.535
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -42.001
tors. eta vs tors. theta energy: -76.332
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: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1006.813652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.813652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.813652 (E_RNA)
where:
Base-Base interactions energy: -701.793
where: short stacking energy: -283.765
Base-Backbone interact. energy: -0.925
local terms energy: -304.095598
where:
bonds (distance) C4'-P energy: -55.827
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -68.194
flat angles P-C4'-P energy: -45.531
tors. eta vs tors. theta energy: -68.184
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: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -596.308461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.308461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.308461 (E_RNA)
where:
Base-Base interactions energy: -355.049
where: short stacking energy: -173.705
Base-Backbone interact. energy: 1.866
local terms energy: -243.125465
where:
bonds (distance) C4'-P energy: -58.540
bonds (distance) P-C4' energy: -53.711
flat angles C4'-P-C4' energy: -72.704
flat angles P-C4'-P energy: -36.252
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -643.567958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.567958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.567958 (E_RNA)
where:
Base-Base interactions energy: -399.302
where: short stacking energy: -194.846
Base-Backbone interact. energy: 3.831
local terms energy: -248.097074
where:
bonds (distance) C4'-P energy: -67.060
bonds (distance) P-C4' energy: -54.723
flat angles C4'-P-C4' energy: -62.389
flat angles P-C4'-P energy: -34.820
tors. eta vs tors. theta energy: -29.106
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: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1476.397042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.397042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.397042 (E_RNA)
where:
Base-Base interactions energy: -1056.080
where: short stacking energy: -443.242
Base-Backbone interact. energy: 0.010
local terms energy: -420.326841
where:
bonds (distance) C4'-P energy: -75.306
bonds (distance) P-C4' energy: -84.615
flat angles C4'-P-C4' energy: -83.288
flat angles P-C4'-P energy: -59.007
tors. eta vs tors. theta energy: -118.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1323.485672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.485672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.485672 (E_RNA)
where:
Base-Base interactions energy: -924.120
where: short stacking energy: -396.690
Base-Backbone interact. energy: -0.590
local terms energy: -398.775376
where:
bonds (distance) C4'-P energy: -71.252
bonds (distance) P-C4' energy: -82.638
flat angles C4'-P-C4' energy: -83.439
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -117.279
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: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1324.617379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.617379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.617379 (E_RNA)
where:
Base-Base interactions energy: -955.248
where: short stacking energy: -391.914
Base-Backbone interact. energy: -2.553
local terms energy: -366.816210
where:
bonds (distance) C4'-P energy: -74.373
bonds (distance) P-C4' energy: -63.122
flat angles C4'-P-C4' energy: -71.323
flat angles P-C4'-P energy: -53.365
tors. eta vs tors. theta energy: -104.633
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: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1256.483587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.483587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.483587 (E_RNA)
where:
Base-Base interactions energy: -882.230
where: short stacking energy: -375.032
Base-Backbone interact. energy: -0.635
local terms energy: -373.618563
where:
bonds (distance) C4'-P energy: -79.418
bonds (distance) P-C4' energy: -69.793
flat angles C4'-P-C4' energy: -66.725
flat angles P-C4'-P energy: -53.235
tors. eta vs tors. theta energy: -104.446
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: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1249.607395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.607395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.607395 (E_RNA)
where:
Base-Base interactions energy: -885.969
where: short stacking energy: -373.291
Base-Backbone interact. energy: -0.126
local terms energy: -363.512620
where:
bonds (distance) C4'-P energy: -55.692
bonds (distance) P-C4' energy: -68.043
flat angles C4'-P-C4' energy: -82.229
flat angles P-C4'-P energy: -46.190
tors. eta vs tors. theta energy: -111.358
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: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1180.816001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.816001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.816001 (E_RNA)
where:
Base-Base interactions energy: -841.641
where: short stacking energy: -354.420
Base-Backbone interact. energy: -1.908
local terms energy: -337.266161
where:
bonds (distance) C4'-P energy: -49.195
bonds (distance) P-C4' energy: -54.335
flat angles C4'-P-C4' energy: -83.978
flat angles P-C4'-P energy: -54.540
tors. eta vs tors. theta energy: -95.219
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: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1070.129839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.129839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.129839 (E_RNA)
where:
Base-Base interactions energy: -751.037
where: short stacking energy: -318.008
Base-Backbone interact. energy: -1.262
local terms energy: -317.830985
where:
bonds (distance) C4'-P energy: -50.908
bonds (distance) P-C4' energy: -61.833
flat angles C4'-P-C4' energy: -76.019
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -84.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1000.984825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.984825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.984825 (E_RNA)
where:
Base-Base interactions energy: -699.556
where: short stacking energy: -295.522
Base-Backbone interact. energy: -0.626
local terms energy: -300.802587
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -64.680
flat angles C4'-P-C4' energy: -65.580
flat angles P-C4'-P energy: -50.299
tors. eta vs tors. theta energy: -70.742
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: 9, replica: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -721.502892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.502892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.502892 (E_RNA)
where:
Base-Base interactions energy: -467.166
where: short stacking energy: -213.013
Base-Backbone interact. energy: 3.822
local terms energy: -258.159216
where:
bonds (distance) C4'-P energy: -46.407
bonds (distance) P-C4' energy: -72.621
flat angles C4'-P-C4' energy: -59.780
flat angles P-C4'-P energy: -35.970
tors. eta vs tors. theta energy: -43.381
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: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -611.121488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.121488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.121488 (E_RNA)
where:
Base-Base interactions energy: -374.462
where: short stacking energy: -178.383
Base-Backbone interact. energy: -1.082
local terms energy: -235.576625
where:
bonds (distance) C4'-P energy: -53.463
bonds (distance) P-C4' energy: -67.290
flat angles C4'-P-C4' energy: -58.168
flat angles P-C4'-P energy: -33.626
tors. eta vs tors. theta energy: -23.029
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: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1478.057996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.057996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.057996 (E_RNA)
where:
Base-Base interactions energy: -1049.189
where: short stacking energy: -436.620
Base-Backbone interact. energy: -0.653
local terms energy: -428.215191
where:
bonds (distance) C4'-P energy: -74.495
bonds (distance) P-C4' energy: -79.742
flat angles C4'-P-C4' energy: -91.659
flat angles P-C4'-P energy: -61.599
tors. eta vs tors. theta energy: -120.719
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: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1340.793918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.793918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.793918 (E_RNA)
where:
Base-Base interactions energy: -931.435
where: short stacking energy: -401.778
Base-Backbone interact. energy: -1.402
local terms energy: -407.956588
where:
bonds (distance) C4'-P energy: -79.819
bonds (distance) P-C4' energy: -70.886
flat angles C4'-P-C4' energy: -84.542
flat angles P-C4'-P energy: -57.713
tors. eta vs tors. theta energy: -114.998
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: 3, replica: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1327.471171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.471171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.471171 (E_RNA)
where:
Base-Base interactions energy: -945.096
where: short stacking energy: -370.253
Base-Backbone interact. energy: 1.250
local terms energy: -383.625352
where:
bonds (distance) C4'-P energy: -74.170
bonds (distance) P-C4' energy: -78.651
flat angles C4'-P-C4' energy: -81.507
flat angles P-C4'-P energy: -47.687
tors. eta vs tors. theta energy: -101.611
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: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1286.225845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.225845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.225845 (E_RNA)
where:
Base-Base interactions energy: -897.524
where: short stacking energy: -399.100
Base-Backbone interact. energy: -0.332
local terms energy: -388.369493
where:
bonds (distance) C4'-P energy: -68.358
bonds (distance) P-C4' energy: -77.097
flat angles C4'-P-C4' energy: -81.946
flat angles P-C4'-P energy: -48.749
tors. eta vs tors. theta energy: -112.221
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: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1249.018168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.018168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.018168 (E_RNA)
where:
Base-Base interactions energy: -904.010
where: short stacking energy: -375.785
Base-Backbone interact. energy: -1.391
local terms energy: -343.617564
where:
bonds (distance) C4'-P energy: -50.174
bonds (distance) P-C4' energy: -54.893
flat angles C4'-P-C4' energy: -83.790
flat angles P-C4'-P energy: -53.183
tors. eta vs tors. theta energy: -101.578
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: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1180.153119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.153119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.153119 (E_RNA)
where:
Base-Base interactions energy: -838.887
where: short stacking energy: -338.162
Base-Backbone interact. energy: 0.633
local terms energy: -341.898432
where:
bonds (distance) C4'-P energy: -61.013
bonds (distance) P-C4' energy: -74.725
flat angles C4'-P-C4' energy: -78.344
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: -87.995
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: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1056.478981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.478981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.478981 (E_RNA)
where:
Base-Base interactions energy: -711.490
where: short stacking energy: -301.919
Base-Backbone interact. energy: -0.403
local terms energy: -344.585904
where:
bonds (distance) C4'-P energy: -77.258
bonds (distance) P-C4' energy: -69.878
flat angles C4'-P-C4' energy: -61.072
flat angles P-C4'-P energy: -50.153
tors. eta vs tors. theta energy: -86.224
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: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -964.296462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.296462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.296462 (E_RNA)
where:
Base-Base interactions energy: -652.324
where: short stacking energy: -284.642
Base-Backbone interact. energy: -0.662
local terms energy: -311.310564
where:
bonds (distance) C4'-P energy: -63.196
bonds (distance) P-C4' energy: -73.313
flat angles C4'-P-C4' energy: -62.447
flat angles P-C4'-P energy: -43.281
tors. eta vs tors. theta energy: -69.074
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: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -737.780767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.780767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.780767 (E_RNA)
where:
Base-Base interactions energy: -485.102
where: short stacking energy: -202.971
Base-Backbone interact. energy: 0.242
local terms energy: -252.921731
where:
bonds (distance) C4'-P energy: -60.759
bonds (distance) P-C4' energy: -53.959
flat angles C4'-P-C4' energy: -61.073
flat angles P-C4'-P energy: -41.186
tors. eta vs tors. theta energy: -35.945
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: 371
Temperature: 1.350000
Total energy: -541.111380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.111380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.111380 (E_RNA)
where:
Base-Base interactions energy: -288.795
where: short stacking energy: -139.375
Base-Backbone interact. energy: 5.362
local terms energy: -257.677799
where:
bonds (distance) C4'-P energy: -64.130
bonds (distance) P-C4' energy: -71.046
flat angles C4'-P-C4' energy: -60.271
flat angles P-C4'-P energy: -28.446
tors. eta vs tors. theta energy: -33.785
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: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1485.923430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.923430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.923430 (E_RNA)
where:
Base-Base interactions energy: -1052.361
where: short stacking energy: -435.595
Base-Backbone interact. energy: -0.937
local terms energy: -432.625585
where:
bonds (distance) C4'-P energy: -78.183
bonds (distance) P-C4' energy: -74.138
flat angles C4'-P-C4' energy: -90.237
flat angles P-C4'-P energy: -63.857
tors. eta vs tors. theta energy: -126.211
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: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1340.125314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.125314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.125314 (E_RNA)
where:
Base-Base interactions energy: -943.361
where: short stacking energy: -405.455
Base-Backbone interact. energy: -0.989
local terms energy: -395.775709
where:
bonds (distance) C4'-P energy: -75.200
bonds (distance) P-C4' energy: -70.567
flat angles C4'-P-C4' energy: -84.319
flat angles P-C4'-P energy: -60.430
tors. eta vs tors. theta energy: -105.259
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: 10
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1320.056791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.056791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.056791 (E_RNA)
where:
Base-Base interactions energy: -945.884
where: short stacking energy: -390.039
Base-Backbone interact. energy: 6.863
local terms energy: -381.035859
where:
bonds (distance) C4'-P energy: -78.002
bonds (distance) P-C4' energy: -73.190
flat angles C4'-P-C4' energy: -73.956
flat angles P-C4'-P energy: -52.083
tors. eta vs tors. theta energy: -103.804
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: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1288.235495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.235495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.235495 (E_RNA)
where:
Base-Base interactions energy: -897.345
where: short stacking energy: -384.147
Base-Backbone interact. energy: -0.252
local terms energy: -390.638393
where:
bonds (distance) C4'-P energy: -72.031
bonds (distance) P-C4' energy: -73.764
flat angles C4'-P-C4' energy: -76.168
flat angles P-C4'-P energy: -52.180
tors. eta vs tors. theta energy: -116.496
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: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1244.109109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.109109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.109109 (E_RNA)
where:
Base-Base interactions energy: -880.356
where: short stacking energy: -379.446
Base-Backbone interact. energy: -1.067
local terms energy: -362.685994
where:
bonds (distance) C4'-P energy: -59.815
bonds (distance) P-C4' energy: -71.132
flat angles C4'-P-C4' energy: -80.566
flat angles P-C4'-P energy: -49.703
tors. eta vs tors. theta energy: -101.469
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: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1195.536571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.536571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.536571 (E_RNA)
where:
Base-Base interactions energy: -864.002
where: short stacking energy: -337.647
Base-Backbone interact. energy: -1.529
local terms energy: -330.006295
where:
bonds (distance) C4'-P energy: -58.563
bonds (distance) P-C4' energy: -66.880
flat angles C4'-P-C4' energy: -62.484
flat angles P-C4'-P energy: -48.541
tors. eta vs tors. theta energy: -93.538
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: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1005.227809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.227809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.227809 (E_RNA)
where:
Base-Base interactions energy: -699.875
where: short stacking energy: -293.606
Base-Backbone interact. energy: -0.680
local terms energy: -304.673027
where:
bonds (distance) C4'-P energy: -50.690
bonds (distance) P-C4' energy: -59.545
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -49.996
tors. eta vs tors. theta energy: -69.128
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: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1019.988893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.988893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.988893 (E_RNA)
where:
Base-Base interactions energy: -707.267
where: short stacking energy: -288.461
Base-Backbone interact. energy: -1.859
local terms energy: -310.862557
where:
bonds (distance) C4'-P energy: -67.363
bonds (distance) P-C4' energy: -57.497
flat angles C4'-P-C4' energy: -84.356
flat angles P-C4'-P energy: -36.074
tors. eta vs tors. theta energy: -65.572
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: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -799.238366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.238366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.238366 (E_RNA)
where:
Base-Base interactions energy: -516.102
where: short stacking energy: -203.511
Base-Backbone interact. energy: 0.923
local terms energy: -284.059584
where:
bonds (distance) C4'-P energy: -53.852
bonds (distance) P-C4' energy: -79.198
flat angles C4'-P-C4' energy: -63.402
flat angles P-C4'-P energy: -53.204
tors. eta vs tors. theta energy: -34.403
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: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -533.909591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.909591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.909591 (E_RNA)
where:
Base-Base interactions energy: -324.088
where: short stacking energy: -152.903
Base-Backbone interact. energy: 0.562
local terms energy: -210.383471
where:
bonds (distance) C4'-P energy: -60.715
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -50.898
flat angles P-C4'-P energy: -33.607
tors. eta vs tors. theta energy: -16.758
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: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1480.209805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.209805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.209805 (E_RNA)
where:
Base-Base interactions energy: -1060.071
where: short stacking energy: -430.891
Base-Backbone interact. energy: -1.954
local terms energy: -418.184816
where:
bonds (distance) C4'-P energy: -68.876
bonds (distance) P-C4' energy: -79.873
flat angles C4'-P-C4' energy: -88.649
flat angles P-C4'-P energy: -57.368
tors. eta vs tors. theta energy: -123.418
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: 2, replica: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1350.391136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.391136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.391136 (E_RNA)
where:
Base-Base interactions energy: -963.596
where: short stacking energy: -387.300
Base-Backbone interact. energy: -1.149
local terms energy: -385.646252
where:
bonds (distance) C4'-P energy: -70.527
bonds (distance) P-C4' energy: -75.406
flat angles C4'-P-C4' energy: -75.966
flat angles P-C4'-P energy: -65.874
tors. eta vs tors. theta energy: -97.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1322.424484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.424484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.424484 (E_RNA)
where:
Base-Base interactions energy: -918.245
where: short stacking energy: -388.574
Base-Backbone interact. energy: -0.318
local terms energy: -403.861003
where:
bonds (distance) C4'-P energy: -80.873
bonds (distance) P-C4' energy: -72.518
flat angles C4'-P-C4' energy: -79.444
flat angles P-C4'-P energy: -58.677
tors. eta vs tors. theta energy: -112.348
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: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1269.387418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.387418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.387418 (E_RNA)
where:
Base-Base interactions energy: -890.818
where: short stacking energy: -384.148
Base-Backbone interact. energy: -1.412
local terms energy: -377.157162
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -63.390
flat angles C4'-P-C4' energy: -82.930
flat angles P-C4'-P energy: -52.528
tors. eta vs tors. theta energy: -112.803
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: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1252.482922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.482922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.482922 (E_RNA)
where:
Base-Base interactions energy: -872.659
where: short stacking energy: -364.339
Base-Backbone interact. energy: 0.517
local terms energy: -380.341594
where:
bonds (distance) C4'-P energy: -77.237
bonds (distance) P-C4' energy: -80.395
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -47.542
tors. eta vs tors. theta energy: -98.872
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: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1188.569565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.569565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.569565 (E_RNA)
where:
Base-Base interactions energy: -853.102
where: short stacking energy: -357.490
Base-Backbone interact. energy: 1.734
local terms energy: -337.201291
where:
bonds (distance) C4'-P energy: -59.067
bonds (distance) P-C4' energy: -63.823
flat angles C4'-P-C4' energy: -66.276
flat angles P-C4'-P energy: -48.932
tors. eta vs tors. theta energy: -99.103
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: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1036.856385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.856385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.856385 (E_RNA)
where:
Base-Base interactions energy: -721.454
where: short stacking energy: -299.549
Base-Backbone interact. energy: 0.719
local terms energy: -316.121364
where:
bonds (distance) C4'-P energy: -65.316
bonds (distance) P-C4' energy: -52.403
flat angles C4'-P-C4' energy: -65.492
flat angles P-C4'-P energy: -49.986
tors. eta vs tors. theta energy: -82.924
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: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1038.852438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.852438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.852438 (E_RNA)
where:
Base-Base interactions energy: -703.445
where: short stacking energy: -297.779
Base-Backbone interact. energy: -1.139
local terms energy: -334.268396
where:
bonds (distance) C4'-P energy: -58.925
bonds (distance) P-C4' energy: -58.213
flat angles C4'-P-C4' energy: -79.218
flat angles P-C4'-P energy: -54.784
tors. eta vs tors. theta energy: -83.129
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: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -743.255239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.255239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.255239 (E_RNA)
where:
Base-Base interactions energy: -511.403
where: short stacking energy: -200.554
Base-Backbone interact. energy: 3.435
local terms energy: -235.286823
where:
bonds (distance) C4'-P energy: -56.222
bonds (distance) P-C4' energy: -57.490
flat angles C4'-P-C4' energy: -46.314
flat angles P-C4'-P energy: -32.066
tors. eta vs tors. theta energy: -43.195
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: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -544.950694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.950694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.950694 (E_RNA)
where:
Base-Base interactions energy: -327.137
where: short stacking energy: -163.962
Base-Backbone interact. energy: -0.506
local terms energy: -217.307252
where:
bonds (distance) C4'-P energy: -50.855
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -50.957
flat angles P-C4'-P energy: -32.824
tors. eta vs tors. theta energy: -10.238
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: 374
Temperature: 0.900000
Total energy: -1500.522678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.522678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.522678 (E_RNA)
where:
Base-Base interactions energy: -1081.292
where: short stacking energy: -441.053
Base-Backbone interact. energy: -0.581
local terms energy: -418.650440
where:
bonds (distance) C4'-P energy: -75.454
bonds (distance) P-C4' energy: -74.172
flat angles C4'-P-C4' energy: -87.631
flat angles P-C4'-P energy: -55.742
tors. eta vs tors. theta energy: -125.651
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: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1347.569013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.569013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.569013 (E_RNA)
where:
Base-Base interactions energy: -959.158
where: short stacking energy: -383.143
Base-Backbone interact. energy: 0.011
local terms energy: -388.421966
where:
bonds (distance) C4'-P energy: -73.219
bonds (distance) P-C4' energy: -78.921
flat angles C4'-P-C4' energy: -79.258
flat angles P-C4'-P energy: -53.709
tors. eta vs tors. theta energy: -103.316
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: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1308.619131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.619131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.619131 (E_RNA)
where:
Base-Base interactions energy: -924.136
where: short stacking energy: -385.316
Base-Backbone interact. energy: -1.115
local terms energy: -383.367855
where:
bonds (distance) C4'-P energy: -71.251
bonds (distance) P-C4' energy: -70.864
flat angles C4'-P-C4' energy: -83.903
flat angles P-C4'-P energy: -49.333
tors. eta vs tors. theta energy: -108.016
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: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1262.182948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.182948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.182948 (E_RNA)
where:
Base-Base interactions energy: -898.011
where: short stacking energy: -384.804
Base-Backbone interact. energy: -0.596
local terms energy: -363.575286
where:
bonds (distance) C4'-P energy: -61.916
bonds (distance) P-C4' energy: -67.171
flat angles C4'-P-C4' energy: -71.978
flat angles P-C4'-P energy: -53.001
tors. eta vs tors. theta energy: -109.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1257.819249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.819249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.819249 (E_RNA)
where:
Base-Base interactions energy: -882.676
where: short stacking energy: -369.781
Base-Backbone interact. energy: 1.568
local terms energy: -376.710490
where:
bonds (distance) C4'-P energy: -63.053
bonds (distance) P-C4' energy: -72.143
flat angles C4'-P-C4' energy: -86.196
flat angles P-C4'-P energy: -47.834
tors. eta vs tors. theta energy: -107.484
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: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1150.618484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.618484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.618484 (E_RNA)
where:
Base-Base interactions energy: -817.659
where: short stacking energy: -353.608
Base-Backbone interact. energy: -1.026
local terms energy: -331.934002
where:
bonds (distance) C4'-P energy: -51.543
bonds (distance) P-C4' energy: -65.673
flat angles C4'-P-C4' energy: -83.688
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -96.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1039.656299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.656299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.656299 (E_RNA)
where:
Base-Base interactions energy: -714.072
where: short stacking energy: -324.547
Base-Backbone interact. energy: -0.446
local terms energy: -325.138707
where:
bonds (distance) C4'-P energy: -50.490
bonds (distance) P-C4' energy: -62.782
flat angles C4'-P-C4' energy: -67.879
flat angles P-C4'-P energy: -51.955
tors. eta vs tors. theta energy: -92.033
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: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1051.892419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.892419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.892419 (E_RNA)
where:
Base-Base interactions energy: -746.497
where: short stacking energy: -334.284
Base-Backbone interact. energy: -2.279
local terms energy: -303.116443
where:
bonds (distance) C4'-P energy: -61.330
bonds (distance) P-C4' energy: -56.967
flat angles C4'-P-C4' energy: -74.908
flat angles P-C4'-P energy: -35.153
tors. eta vs tors. theta energy: -74.759
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: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -743.136205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.136205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.136205 (E_RNA)
where:
Base-Base interactions energy: -497.287
where: short stacking energy: -210.670
Base-Backbone interact. energy: -1.778
local terms energy: -244.070685
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -48.371
flat angles C4'-P-C4' energy: -60.949
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: -37.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -537.382534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.382534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.382534 (E_RNA)
where:
Base-Base interactions energy: -298.947
where: short stacking energy: -148.035
Base-Backbone interact. energy: 0.036
local terms energy: -238.471070
where:
bonds (distance) C4'-P energy: -50.453
bonds (distance) P-C4' energy: -66.685
flat angles C4'-P-C4' energy: -62.025
flat angles P-C4'-P energy: -33.431
tors. eta vs tors. theta energy: -25.877
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: 375
Temperature: 0.900000
Total energy: -1478.222505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.222505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.222505 (E_RNA)
where:
Base-Base interactions energy: -1064.239
where: short stacking energy: -443.162
Base-Backbone interact. energy: -0.876
local terms energy: -413.107626
where:
bonds (distance) C4'-P energy: -71.896
bonds (distance) P-C4' energy: -76.683
flat angles C4'-P-C4' energy: -89.394
flat angles P-C4'-P energy: -52.574
tors. eta vs tors. theta energy: -122.561
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: 375
Temperature: 0.950000
Total energy: -1361.023457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.023457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.023457 (E_RNA)
where:
Base-Base interactions energy: -980.306
where: short stacking energy: -409.495
Base-Backbone interact. energy: -0.798
local terms energy: -379.918832
where:
bonds (distance) C4'-P energy: -73.548
bonds (distance) P-C4' energy: -71.015
flat angles C4'-P-C4' energy: -77.772
flat angles P-C4'-P energy: -53.735
tors. eta vs tors. theta energy: -103.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1316.260666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.260666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.260666 (E_RNA)
where:
Base-Base interactions energy: -907.249
where: short stacking energy: -385.772
Base-Backbone interact. energy: -1.309
local terms energy: -407.703110
where:
bonds (distance) C4'-P energy: -74.775
bonds (distance) P-C4' energy: -83.142
flat angles C4'-P-C4' energy: -85.835
flat angles P-C4'-P energy: -57.032
tors. eta vs tors. theta energy: -106.920
Dist. restrs. and SS energy: 0.000 (S_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: 375
Temperature: 1.050000
Total energy: -1287.302914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.302914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.302914 (E_RNA)
where:
Base-Base interactions energy: -924.689
where: short stacking energy: -399.045
Base-Backbone interact. energy: -0.934
local terms energy: -361.679140
where:
bonds (distance) C4'-P energy: -61.067
bonds (distance) P-C4' energy: -70.953
flat angles C4'-P-C4' energy: -78.557
flat angles P-C4'-P energy: -47.253
tors. eta vs tors. theta energy: -103.849
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: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1231.821556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.821556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.821556 (E_RNA)
where:
Base-Base interactions energy: -871.500
where: short stacking energy: -356.131
Base-Backbone interact. energy: -1.263
local terms energy: -359.058661
where:
bonds (distance) C4'-P energy: -65.776
bonds (distance) P-C4' energy: -70.449
flat angles C4'-P-C4' energy: -79.290
flat angles P-C4'-P energy: -37.633
tors. eta vs tors. theta energy: -105.911
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: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1128.110078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.110078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.110078 (E_RNA)
where:
Base-Base interactions energy: -798.733
where: short stacking energy: -346.727
Base-Backbone interact. energy: -1.332
local terms energy: -328.045242
where:
bonds (distance) C4'-P energy: -52.427
bonds (distance) P-C4' energy: -66.309
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -56.695
tors. eta vs tors. theta energy: -90.237
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: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1008.783408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.783408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.783408 (E_RNA)
where:
Base-Base interactions energy: -686.714
where: short stacking energy: -294.061
Base-Backbone interact. energy: 0.801
local terms energy: -322.870453
where:
bonds (distance) C4'-P energy: -64.971
bonds (distance) P-C4' energy: -66.118
flat angles C4'-P-C4' energy: -71.576
flat angles P-C4'-P energy: -52.061
tors. eta vs tors. theta energy: -68.145
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: 375
Temperature: 1.250000
Total energy: -1023.195814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.195814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.195814 (E_RNA)
where:
Base-Base interactions energy: -702.440
where: short stacking energy: -287.685
Base-Backbone interact. energy: -1.988
local terms energy: -318.767721
where:
bonds (distance) C4'-P energy: -62.917
bonds (distance) P-C4' energy: -64.641
flat angles C4'-P-C4' energy: -70.470
flat angles P-C4'-P energy: -42.272
tors. eta vs tors. theta energy: -78.469
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: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -725.591498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.591498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.591498 (E_RNA)
where:
Base-Base interactions energy: -467.377
where: short stacking energy: -184.078
Base-Backbone interact. energy: -1.841
local terms energy: -256.373481
where:
bonds (distance) C4'-P energy: -68.849
bonds (distance) P-C4' energy: -66.825
flat angles C4'-P-C4' energy: -52.469
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -24.556
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: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -587.107162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.107162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.107162 (E_RNA)
where:
Base-Base interactions energy: -354.264
where: short stacking energy: -189.965
Base-Backbone interact. energy: 0.335
local terms energy: -233.178137
where:
bonds (distance) C4'-P energy: -49.844
bonds (distance) P-C4' energy: -60.281
flat angles C4'-P-C4' energy: -72.203
flat angles P-C4'-P energy: -26.829
tors. eta vs tors. theta energy: -24.021
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: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1460.190280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.190280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.190280 (E_RNA)
where:
Base-Base interactions energy: -1039.696
where: short stacking energy: -440.295
Base-Backbone interact. energy: -0.493
local terms energy: -420.001352
where:
bonds (distance) C4'-P energy: -70.941
bonds (distance) P-C4' energy: -75.198
flat angles C4'-P-C4' energy: -92.308
flat angles P-C4'-P energy: -61.372
tors. eta vs tors. theta energy: -120.182
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: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1353.508359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.508359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.508359 (E_RNA)
where:
Base-Base interactions energy: -965.237
where: short stacking energy: -392.082
Base-Backbone interact. energy: -0.124
local terms energy: -388.147836
where:
bonds (distance) C4'-P energy: -69.053
bonds (distance) P-C4' energy: -70.831
flat angles C4'-P-C4' energy: -90.025
flat angles P-C4'-P energy: -50.366
tors. eta vs tors. theta energy: -107.872
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: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1314.338341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.338341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.338341 (E_RNA)
where:
Base-Base interactions energy: -919.024
where: short stacking energy: -384.037
Base-Backbone interact. energy: -1.588
local terms energy: -393.726490
where:
bonds (distance) C4'-P energy: -64.339
bonds (distance) P-C4' energy: -76.650
flat angles C4'-P-C4' energy: -93.041
flat angles P-C4'-P energy: -53.628
tors. eta vs tors. theta energy: -106.069
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: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1278.798898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.798898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.798898 (E_RNA)
where:
Base-Base interactions energy: -910.898
where: short stacking energy: -389.474
Base-Backbone interact. energy: -1.062
local terms energy: -366.839046
where:
bonds (distance) C4'-P energy: -56.342
bonds (distance) P-C4' energy: -75.921
flat angles C4'-P-C4' energy: -75.166
flat angles P-C4'-P energy: -52.832
tors. eta vs tors. theta energy: -106.578
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: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1241.466922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.466922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.466922 (E_RNA)
where:
Base-Base interactions energy: -881.565
where: short stacking energy: -378.534
Base-Backbone interact. energy: -0.931
local terms energy: -358.970608
where:
bonds (distance) C4'-P energy: -65.442
bonds (distance) P-C4' energy: -65.759
flat angles C4'-P-C4' energy: -73.400
flat angles P-C4'-P energy: -50.142
tors. eta vs tors. theta energy: -104.228
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: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1163.325746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.325746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.325746 (E_RNA)
where:
Base-Base interactions energy: -819.643
where: short stacking energy: -336.707
Base-Backbone interact. energy: -1.032
local terms energy: -342.651457
where:
bonds (distance) C4'-P energy: -67.021
bonds (distance) P-C4' energy: -69.853
flat angles C4'-P-C4' energy: -68.951
flat angles P-C4'-P energy: -50.512
tors. eta vs tors. theta energy: -86.314
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: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1064.716539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.716539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.716539 (E_RNA)
where:
Base-Base interactions energy: -741.459
where: short stacking energy: -334.682
Base-Backbone interact. energy: -1.109
local terms energy: -322.148496
where:
bonds (distance) C4'-P energy: -57.094
bonds (distance) P-C4' energy: -63.330
flat angles C4'-P-C4' energy: -72.951
flat angles P-C4'-P energy: -43.033
tors. eta vs tors. theta energy: -85.741
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: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1022.446866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.446866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.446866 (E_RNA)
where:
Base-Base interactions energy: -724.495
where: short stacking energy: -306.134
Base-Backbone interact. energy: -0.880
local terms energy: -297.071623
where:
bonds (distance) C4'-P energy: -54.427
bonds (distance) P-C4' energy: -68.377
flat angles C4'-P-C4' energy: -65.688
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -63.121
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: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -717.002331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.002331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.002331 (E_RNA)
where:
Base-Base interactions energy: -482.746
where: short stacking energy: -221.193
Base-Backbone interact. energy: -0.004
local terms energy: -234.252250
where:
bonds (distance) C4'-P energy: -63.808
bonds (distance) P-C4' energy: -53.909
flat angles C4'-P-C4' energy: -50.669
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -37.270
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: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -711.778952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.778952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.778952 (E_RNA)
where:
Base-Base interactions energy: -460.678
where: short stacking energy: -210.028
Base-Backbone interact. energy: 1.736
local terms energy: -252.836330
where:
bonds (distance) C4'-P energy: -55.623
bonds (distance) P-C4' energy: -68.018
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -32.493
tors. eta vs tors. theta energy: -39.121
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: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1453.078573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.078573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.078573 (E_RNA)
where:
Base-Base interactions energy: -1034.521
where: short stacking energy: -432.333
Base-Backbone interact. energy: -1.459
local terms energy: -417.098131
where:
bonds (distance) C4'-P energy: -68.850
bonds (distance) P-C4' energy: -77.027
flat angles C4'-P-C4' energy: -83.369
flat angles P-C4'-P energy: -63.127
tors. eta vs tors. theta energy: -124.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1344.528581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.528581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.528581 (E_RNA)
where:
Base-Base interactions energy: -969.019
where: short stacking energy: -390.677
Base-Backbone interact. energy: -2.928
local terms energy: -372.581636
where:
bonds (distance) C4'-P energy: -68.665
bonds (distance) P-C4' energy: -67.573
flat angles C4'-P-C4' energy: -85.117
flat angles P-C4'-P energy: -51.021
tors. eta vs tors. theta energy: -100.206
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: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1313.605984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.605984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.605984 (E_RNA)
where:
Base-Base interactions energy: -927.595
where: short stacking energy: -411.869
Base-Backbone interact. energy: 0.170
local terms energy: -386.181195
where:
bonds (distance) C4'-P energy: -71.351
bonds (distance) P-C4' energy: -64.982
flat angles C4'-P-C4' energy: -88.626
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -112.061
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: 377
Temperature: 1.050000
Total energy: -1265.174187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.174187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.174187 (E_RNA)
where:
Base-Base interactions energy: -915.234
where: short stacking energy: -378.265
Base-Backbone interact. energy: -1.131
local terms energy: -348.809038
where:
bonds (distance) C4'-P energy: -54.478
bonds (distance) P-C4' energy: -62.411
flat angles C4'-P-C4' energy: -84.244
flat angles P-C4'-P energy: -49.419
tors. eta vs tors. theta energy: -98.258
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: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1250.873236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.873236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.873236 (E_RNA)
where:
Base-Base interactions energy: -886.614
where: short stacking energy: -355.976
Base-Backbone interact. energy: -1.339
local terms energy: -362.920001
where:
bonds (distance) C4'-P energy: -62.959
bonds (distance) P-C4' energy: -69.955
flat angles C4'-P-C4' energy: -81.091
flat angles P-C4'-P energy: -51.399
tors. eta vs tors. theta energy: -97.515
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: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1147.285149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.285149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.285149 (E_RNA)
where:
Base-Base interactions energy: -820.740
where: short stacking energy: -329.909
Base-Backbone interact. energy: -2.065
local terms energy: -324.480489
where:
bonds (distance) C4'-P energy: -60.145
bonds (distance) P-C4' energy: -60.316
flat angles C4'-P-C4' energy: -67.302
flat angles P-C4'-P energy: -49.225
tors. eta vs tors. theta energy: -87.492
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: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1047.394365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.394365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.394365 (E_RNA)
where:
Base-Base interactions energy: -724.461
where: short stacking energy: -314.351
Base-Backbone interact. energy: -2.021
local terms energy: -320.912091
where:
bonds (distance) C4'-P energy: -59.614
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -74.584
flat angles P-C4'-P energy: -44.636
tors. eta vs tors. theta energy: -78.892
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: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1067.272802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.272802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.272802 (E_RNA)
where:
Base-Base interactions energy: -759.199
where: short stacking energy: -310.719
Base-Backbone interact. energy: -0.655
local terms energy: -307.418659
where:
bonds (distance) C4'-P energy: -52.951
bonds (distance) P-C4' energy: -61.026
flat angles C4'-P-C4' energy: -70.661
flat angles P-C4'-P energy: -44.729
tors. eta vs tors. theta energy: -78.052
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: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -728.976780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.976780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.976780 (E_RNA)
where:
Base-Base interactions energy: -492.604
where: short stacking energy: -229.428
Base-Backbone interact. energy: 2.239
local terms energy: -238.611425
where:
bonds (distance) C4'-P energy: -40.343
bonds (distance) P-C4' energy: -56.144
flat angles C4'-P-C4' energy: -64.393
flat angles P-C4'-P energy: -37.869
tors. eta vs tors. theta energy: -39.863
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: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -699.259100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.259100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.259100 (E_RNA)
where:
Base-Base interactions energy: -453.717
where: short stacking energy: -202.868
Base-Backbone interact. energy: 1.608
local terms energy: -247.150487
where:
bonds (distance) C4'-P energy: -47.639
bonds (distance) P-C4' energy: -57.946
flat angles C4'-P-C4' energy: -73.382
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -44.975
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: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1469.611768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.611768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.611768 (E_RNA)
where:
Base-Base interactions energy: -1064.908
where: short stacking energy: -434.550
Base-Backbone interact. energy: -1.222
local terms energy: -403.481537
where:
bonds (distance) C4'-P energy: -62.476
bonds (distance) P-C4' energy: -71.918
flat angles C4'-P-C4' energy: -86.691
flat angles P-C4'-P energy: -67.124
tors. eta vs tors. theta energy: -115.273
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: 378
Temperature: 0.950000
Total energy: -1332.898027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.898027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.898027 (E_RNA)
where:
Base-Base interactions energy: -954.828
where: short stacking energy: -382.438
Base-Backbone interact. energy: -0.776
local terms energy: -377.293837
where:
bonds (distance) C4'-P energy: -77.357
bonds (distance) P-C4' energy: -68.648
flat angles C4'-P-C4' energy: -77.252
flat angles P-C4'-P energy: -56.780
tors. eta vs tors. theta energy: -97.257
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: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1312.920344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.920344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.920344 (E_RNA)
where:
Base-Base interactions energy: -916.253
where: short stacking energy: -393.611
Base-Backbone interact. energy: -1.429
local terms energy: -395.238985
where:
bonds (distance) C4'-P energy: -64.488
bonds (distance) P-C4' energy: -68.473
flat angles C4'-P-C4' energy: -82.032
flat angles P-C4'-P energy: -58.003
tors. eta vs tors. theta energy: -122.243
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: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1278.768072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.768072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.768072 (E_RNA)
where:
Base-Base interactions energy: -907.006
where: short stacking energy: -373.687
Base-Backbone interact. energy: 2.836
local terms energy: -374.598099
where:
bonds (distance) C4'-P energy: -59.426
bonds (distance) P-C4' energy: -78.000
flat angles C4'-P-C4' energy: -80.963
flat angles P-C4'-P energy: -49.880
tors. eta vs tors. theta energy: -106.330
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: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1240.304025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.304025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.304025 (E_RNA)
where:
Base-Base interactions energy: -865.459
where: short stacking energy: -354.566
Base-Backbone interact. energy: -1.758
local terms energy: -373.087528
where:
bonds (distance) C4'-P energy: -67.493
bonds (distance) P-C4' energy: -73.948
flat angles C4'-P-C4' energy: -85.067
flat angles P-C4'-P energy: -48.534
tors. eta vs tors. theta energy: -98.045
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: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1163.343485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.343485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.343485 (E_RNA)
where:
Base-Base interactions energy: -812.897
where: short stacking energy: -338.493
Base-Backbone interact. energy: -2.577
local terms energy: -347.870108
where:
bonds (distance) C4'-P energy: -70.981
bonds (distance) P-C4' energy: -66.370
flat angles C4'-P-C4' energy: -68.666
flat angles P-C4'-P energy: -52.813
tors. eta vs tors. theta energy: -89.041
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: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1086.621829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.621829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.621829 (E_RNA)
where:
Base-Base interactions energy: -754.265
where: short stacking energy: -308.467
Base-Backbone interact. energy: -1.323
local terms energy: -331.033392
where:
bonds (distance) C4'-P energy: -56.334
bonds (distance) P-C4' energy: -67.190
flat angles C4'-P-C4' energy: -71.475
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -90.746
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: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -987.825462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.825462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.825462 (E_RNA)
where:
Base-Base interactions energy: -666.631
where: short stacking energy: -283.102
Base-Backbone interact. energy: 0.015
local terms energy: -321.209777
where:
bonds (distance) C4'-P energy: -62.450
bonds (distance) P-C4' energy: -72.922
flat angles C4'-P-C4' energy: -60.924
flat angles P-C4'-P energy: -48.189
tors. eta vs tors. theta energy: -76.724
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: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -726.226911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.226911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.226911 (E_RNA)
where:
Base-Base interactions energy: -465.152
where: short stacking energy: -207.703
Base-Backbone interact. energy: 2.901
local terms energy: -263.976091
where:
bonds (distance) C4'-P energy: -57.953
bonds (distance) P-C4' energy: -64.297
flat angles C4'-P-C4' energy: -61.230
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -47.881
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: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -731.868802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.868802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.868802 (E_RNA)
where:
Base-Base interactions energy: -477.809
where: short stacking energy: -217.513
Base-Backbone interact. energy: 1.202
local terms energy: -255.261108
where:
bonds (distance) C4'-P energy: -61.317
bonds (distance) P-C4' energy: -51.825
flat angles C4'-P-C4' energy: -58.860
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -45.419
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: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1476.119218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.119218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.119218 (E_RNA)
where:
Base-Base interactions energy: -1063.412
where: short stacking energy: -436.275
Base-Backbone interact. energy: -1.247
local terms energy: -411.459542
where:
bonds (distance) C4'-P energy: -77.425
bonds (distance) P-C4' energy: -69.892
flat angles C4'-P-C4' energy: -86.037
flat angles P-C4'-P energy: -58.630
tors. eta vs tors. theta energy: -119.475
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: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1341.388971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.388971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.388971 (E_RNA)
where:
Base-Base interactions energy: -931.169
where: short stacking energy: -413.053
Base-Backbone interact. energy: -1.467
local terms energy: -408.752829
where:
bonds (distance) C4'-P energy: -76.244
bonds (distance) P-C4' energy: -73.959
flat angles C4'-P-C4' energy: -80.297
flat angles P-C4'-P energy: -60.610
tors. eta vs tors. theta energy: -117.643
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: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1293.830427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.830427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.830427 (E_RNA)
where:
Base-Base interactions energy: -925.727
where: short stacking energy: -384.686
Base-Backbone interact. energy: -1.425
local terms energy: -366.678852
where:
bonds (distance) C4'-P energy: -62.961
bonds (distance) P-C4' energy: -71.375
flat angles C4'-P-C4' energy: -71.944
flat angles P-C4'-P energy: -60.096
tors. eta vs tors. theta energy: -100.303
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: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1272.505256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.505256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.505256 (E_RNA)
where:
Base-Base interactions energy: -894.326
where: short stacking energy: -393.437
Base-Backbone interact. energy: -1.079
local terms energy: -377.100820
where:
bonds (distance) C4'-P energy: -63.634
bonds (distance) P-C4' energy: -69.915
flat angles C4'-P-C4' energy: -83.035
flat angles P-C4'-P energy: -49.412
tors. eta vs tors. theta energy: -111.105
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: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1253.989515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.989515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.989515 (E_RNA)
where:
Base-Base interactions energy: -892.126
where: short stacking energy: -379.544
Base-Backbone interact. energy: -1.647
local terms energy: -360.215895
where:
bonds (distance) C4'-P energy: -58.088
bonds (distance) P-C4' energy: -63.754
flat angles C4'-P-C4' energy: -76.703
flat angles P-C4'-P energy: -55.848
tors. eta vs tors. theta energy: -105.822
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: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1151.735809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.735809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.735809 (E_RNA)
where:
Base-Base interactions energy: -823.708
where: short stacking energy: -348.079
Base-Backbone interact. energy: -0.653
local terms energy: -327.374746
where:
bonds (distance) C4'-P energy: -62.949
bonds (distance) P-C4' energy: -58.870
flat angles C4'-P-C4' energy: -66.467
flat angles P-C4'-P energy: -54.025
tors. eta vs tors. theta energy: -85.064
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: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1056.163052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.163052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.163052 (E_RNA)
where:
Base-Base interactions energy: -726.292
where: short stacking energy: -304.504
Base-Backbone interact. energy: 1.947
local terms energy: -331.817300
where:
bonds (distance) C4'-P energy: -64.112
bonds (distance) P-C4' energy: -78.169
flat angles C4'-P-C4' energy: -53.458
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: -86.395
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: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -984.480161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.480161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.480161 (E_RNA)
where:
Base-Base interactions energy: -669.592
where: short stacking energy: -295.323
Base-Backbone interact. energy: 0.619
local terms energy: -315.506579
where:
bonds (distance) C4'-P energy: -54.394
bonds (distance) P-C4' energy: -73.029
flat angles C4'-P-C4' energy: -65.341
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: -71.979
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: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -770.664368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.664368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.664368 (E_RNA)
where:
Base-Base interactions energy: -514.756
where: short stacking energy: -222.806
Base-Backbone interact. energy: -1.444
local terms energy: -254.464775
where:
bonds (distance) C4'-P energy: -56.365
bonds (distance) P-C4' energy: -68.111
flat angles C4'-P-C4' energy: -57.505
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -44.727
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: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -659.053393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.053393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.053393 (E_RNA)
where:
Base-Base interactions energy: -417.944
where: short stacking energy: -186.382
Base-Backbone interact. energy: 2.102
local terms energy: -243.211463
where:
bonds (distance) C4'-P energy: -57.520
bonds (distance) P-C4' energy: -59.141
flat angles C4'-P-C4' energy: -66.545
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -33.713
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: 380
Temperature: 0.900000
Total energy: -1482.749853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.749853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.749853 (E_RNA)
where:
Base-Base interactions energy: -1066.680
where: short stacking energy: -443.699
Base-Backbone interact. energy: -1.696
local terms energy: -414.373540
where:
bonds (distance) C4'-P energy: -69.799
bonds (distance) P-C4' energy: -70.190
flat angles C4'-P-C4' energy: -87.808
flat angles P-C4'-P energy: -63.925
tors. eta vs tors. theta energy: -122.652
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: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1328.133007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.133007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.133007 (E_RNA)
where:
Base-Base interactions energy: -930.086
where: short stacking energy: -402.364
Base-Backbone interact. energy: -0.015
local terms energy: -398.031415
where:
bonds (distance) C4'-P energy: -75.246
bonds (distance) P-C4' energy: -74.155
flat angles C4'-P-C4' energy: -88.119
flat angles P-C4'-P energy: -48.314
tors. eta vs tors. theta energy: -112.198
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: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1310.072979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.072979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.072979 (E_RNA)
where:
Base-Base interactions energy: -916.581
where: short stacking energy: -381.317
Base-Backbone interact. energy: -1.085
local terms energy: -392.407770
where:
bonds (distance) C4'-P energy: -67.759
bonds (distance) P-C4' energy: -71.206
flat angles C4'-P-C4' energy: -81.625
flat angles P-C4'-P energy: -55.937
tors. eta vs tors. theta energy: -115.881
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: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1283.584147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.584147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.584147 (E_RNA)
where:
Base-Base interactions energy: -909.851
where: short stacking energy: -376.649
Base-Backbone interact. energy: 3.532
local terms energy: -377.265753
where:
bonds (distance) C4'-P energy: -64.674
bonds (distance) P-C4' energy: -72.294
flat angles C4'-P-C4' energy: -88.088
flat angles P-C4'-P energy: -51.074
tors. eta vs tors. theta energy: -101.136
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: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1242.787477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.787477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.787477 (E_RNA)
where:
Base-Base interactions energy: -875.292
where: short stacking energy: -380.186
Base-Backbone interact. energy: -1.369
local terms energy: -366.126584
where:
bonds (distance) C4'-P energy: -58.352
bonds (distance) P-C4' energy: -69.659
flat angles C4'-P-C4' energy: -77.770
flat angles P-C4'-P energy: -48.196
tors. eta vs tors. theta energy: -112.149
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: 6, replica: 6
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1145.260385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.260385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.260385 (E_RNA)
where:
Base-Base interactions energy: -817.790
where: short stacking energy: -360.190
Base-Backbone interact. energy: -3.622
local terms energy: -323.847854
where:
bonds (distance) C4'-P energy: -58.731
bonds (distance) P-C4' energy: -59.565
flat angles C4'-P-C4' energy: -75.928
flat angles P-C4'-P energy: -48.750
tors. eta vs tors. theta energy: -80.875
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: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1045.660965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.660965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.660965 (E_RNA)
where:
Base-Base interactions energy: -741.576
where: short stacking energy: -308.916
Base-Backbone interact. energy: -2.518
local terms energy: -301.567213
where:
bonds (distance) C4'-P energy: -63.650
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -61.180
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -80.043
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: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -972.569113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.569113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.569113 (E_RNA)
where:
Base-Base interactions energy: -679.081
where: short stacking energy: -279.144
Base-Backbone interact. energy: -0.232
local terms energy: -293.256633
where:
bonds (distance) C4'-P energy: -60.030
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -65.810
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -78.955
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: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -816.935936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.935936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.935936 (E_RNA)
where:
Base-Base interactions energy: -540.109
where: short stacking energy: -272.620
Base-Backbone interact. energy: -1.466
local terms energy: -275.361260
where:
bonds (distance) C4'-P energy: -59.445
bonds (distance) P-C4' energy: -38.039
flat angles C4'-P-C4' energy: -74.343
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: -66.234
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: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -620.845917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.845917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.845917 (E_RNA)
where:
Base-Base interactions energy: -369.376
where: short stacking energy: -185.374
Base-Backbone interact. energy: -0.430
local terms energy: -251.040191
where:
bonds (distance) C4'-P energy: -63.249
bonds (distance) P-C4' energy: -55.453
flat angles C4'-P-C4' energy: -66.442
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -22.779
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: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1479.877348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.877348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.877348 (E_RNA)
where:
Base-Base interactions energy: -1071.605
where: short stacking energy: -442.359
Base-Backbone interact. energy: -1.651
local terms energy: -406.620549
where:
bonds (distance) C4'-P energy: -69.380
bonds (distance) P-C4' energy: -72.576
flat angles C4'-P-C4' energy: -86.755
flat angles P-C4'-P energy: -55.155
tors. eta vs tors. theta energy: -122.755
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: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1329.277644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.277644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.277644 (E_RNA)
where:
Base-Base interactions energy: -938.401
where: short stacking energy: -389.878
Base-Backbone interact. energy: -0.955
local terms energy: -389.922197
where:
bonds (distance) C4'-P energy: -71.380
bonds (distance) P-C4' energy: -72.614
flat angles C4'-P-C4' energy: -83.500
flat angles P-C4'-P energy: -48.411
tors. eta vs tors. theta energy: -114.017
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: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1307.390583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.390583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.390583 (E_RNA)
where:
Base-Base interactions energy: -912.142
where: short stacking energy: -394.016
Base-Backbone interact. energy: -2.620
local terms energy: -392.628623
where:
bonds (distance) C4'-P energy: -64.947
bonds (distance) P-C4' energy: -78.121
flat angles C4'-P-C4' energy: -86.649
flat angles P-C4'-P energy: -53.893
tors. eta vs tors. theta energy: -109.018
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: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1269.190609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.190609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.190609 (E_RNA)
where:
Base-Base interactions energy: -909.944
where: short stacking energy: -365.680
Base-Backbone interact. energy: -1.518
local terms energy: -357.728463
where:
bonds (distance) C4'-P energy: -64.605
bonds (distance) P-C4' energy: -66.356
flat angles C4'-P-C4' energy: -71.888
flat angles P-C4'-P energy: -51.838
tors. eta vs tors. theta energy: -103.041
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: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1238.429815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.429815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.429815 (E_RNA)
where:
Base-Base interactions energy: -861.378
where: short stacking energy: -370.042
Base-Backbone interact. energy: -1.370
local terms energy: -375.681850
where:
bonds (distance) C4'-P energy: -64.851
bonds (distance) P-C4' energy: -71.149
flat angles C4'-P-C4' energy: -85.272
flat angles P-C4'-P energy: -51.515
tors. eta vs tors. theta energy: -102.894
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: 381
Temperature: 1.150000
Total energy: -1178.828281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.828281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.828281 (E_RNA)
where:
Base-Base interactions energy: -810.763
where: short stacking energy: -334.877
Base-Backbone interact. energy: -1.273
local terms energy: -366.792060
where:
bonds (distance) C4'-P energy: -67.048
bonds (distance) P-C4' energy: -79.006
flat angles C4'-P-C4' energy: -82.491
flat angles P-C4'-P energy: -43.481
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: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1049.158972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.158972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.158972 (E_RNA)
where:
Base-Base interactions energy: -727.721
where: short stacking energy: -296.790
Base-Backbone interact. energy: -1.171
local terms energy: -320.267030
where:
bonds (distance) C4'-P energy: -66.527
bonds (distance) P-C4' energy: -50.652
flat angles C4'-P-C4' energy: -77.780
flat angles P-C4'-P energy: -47.574
tors. eta vs tors. theta energy: -77.733
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: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1034.569386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.569386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.569386 (E_RNA)
where:
Base-Base interactions energy: -757.190
where: short stacking energy: -305.187
Base-Backbone interact. energy: -0.223
local terms energy: -277.156288
where:
bonds (distance) C4'-P energy: -41.090
bonds (distance) P-C4' energy: -55.446
flat angles C4'-P-C4' energy: -70.393
flat angles P-C4'-P energy: -32.163
tors. eta vs tors. theta energy: -78.064
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: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -764.542972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.542972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.542972 (E_RNA)
where:
Base-Base interactions energy: -502.976
where: short stacking energy: -225.993
Base-Backbone interact. energy: 0.015
local terms energy: -261.582162
where:
bonds (distance) C4'-P energy: -56.968
bonds (distance) P-C4' energy: -51.519
flat angles C4'-P-C4' energy: -67.690
flat angles P-C4'-P energy: -37.629
tors. eta vs tors. theta energy: -47.776
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: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -592.120922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.120922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.120922 (E_RNA)
where:
Base-Base interactions energy: -359.511
where: short stacking energy: -164.164
Base-Backbone interact. energy: -0.070
local terms energy: -232.539731
where:
bonds (distance) C4'-P energy: -55.650
bonds (distance) P-C4' energy: -59.649
flat angles C4'-P-C4' energy: -70.734
flat angles P-C4'-P energy: -27.568
tors. eta vs tors. theta energy: -18.939
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: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1481.719381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.719381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.719381 (E_RNA)
where:
Base-Base interactions energy: -1054.830
where: short stacking energy: -433.672
Base-Backbone interact. energy: -0.115
local terms energy: -426.774497
where:
bonds (distance) C4'-P energy: -70.178
bonds (distance) P-C4' energy: -83.505
flat angles C4'-P-C4' energy: -93.482
flat angles P-C4'-P energy: -58.698
tors. eta vs tors. theta energy: -120.911
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: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1323.464032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.464032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.464032 (E_RNA)
where:
Base-Base interactions energy: -931.505
where: short stacking energy: -396.549
Base-Backbone interact. energy: 0.904
local terms energy: -392.863020
where:
bonds (distance) C4'-P energy: -71.994
bonds (distance) P-C4' energy: -80.913
flat angles C4'-P-C4' energy: -79.786
flat angles P-C4'-P energy: -52.407
tors. eta vs tors. theta energy: -107.763
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: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1321.335820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.335820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.335820 (E_RNA)
where:
Base-Base interactions energy: -949.392
where: short stacking energy: -386.549
Base-Backbone interact. energy: -0.737
local terms energy: -371.206659
where:
bonds (distance) C4'-P energy: -73.951
bonds (distance) P-C4' energy: -67.865
flat angles C4'-P-C4' energy: -82.287
flat angles P-C4'-P energy: -49.501
tors. eta vs tors. theta energy: -97.603
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: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1276.229380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.229380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.229380 (E_RNA)
where:
Base-Base interactions energy: -902.335
where: short stacking energy: -380.848
Base-Backbone interact. energy: 2.729
local terms energy: -376.623232
where:
bonds (distance) C4'-P energy: -69.090
bonds (distance) P-C4' energy: -77.006
flat angles C4'-P-C4' energy: -77.821
flat angles P-C4'-P energy: -47.369
tors. eta vs tors. theta energy: -105.337
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: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1197.189637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.189637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.189637 (E_RNA)
where:
Base-Base interactions energy: -843.852
where: short stacking energy: -343.000
Base-Backbone interact. energy: -2.349
local terms energy: -350.988672
where:
bonds (distance) C4'-P energy: -73.438
bonds (distance) P-C4' energy: -66.756
flat angles C4'-P-C4' energy: -60.604
flat angles P-C4'-P energy: -47.034
tors. eta vs tors. theta energy: -103.156
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: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1199.173609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.173609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.173609 (E_RNA)
where:
Base-Base interactions energy: -847.005
where: short stacking energy: -340.057
Base-Backbone interact. energy: -1.074
local terms energy: -351.094742
where:
bonds (distance) C4'-P energy: -67.331
bonds (distance) P-C4' energy: -66.352
flat angles C4'-P-C4' energy: -70.309
flat angles P-C4'-P energy: -46.584
tors. eta vs tors. theta energy: -100.518
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: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1078.280007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.280007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.280007 (E_RNA)
where:
Base-Base interactions energy: -739.904
where: short stacking energy: -301.797
Base-Backbone interact. energy: -1.459
local terms energy: -336.916575
where:
bonds (distance) C4'-P energy: -74.892
bonds (distance) P-C4' energy: -67.348
flat angles C4'-P-C4' energy: -72.173
flat angles P-C4'-P energy: -43.668
tors. eta vs tors. theta energy: -78.836
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: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1041.745239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.745239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.745239 (E_RNA)
where:
Base-Base interactions energy: -716.954
where: short stacking energy: -298.220
Base-Backbone interact. energy: -1.362
local terms energy: -323.429332
where:
bonds (distance) C4'-P energy: -55.476
bonds (distance) P-C4' energy: -71.133
flat angles C4'-P-C4' energy: -73.819
flat angles P-C4'-P energy: -47.515
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: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -814.978126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.978126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.978126 (E_RNA)
where:
Base-Base interactions energy: -533.187
where: short stacking energy: -247.784
Base-Backbone interact. energy: -0.711
local terms energy: -281.079609
where:
bonds (distance) C4'-P energy: -48.370
bonds (distance) P-C4' energy: -58.446
flat angles C4'-P-C4' energy: -68.048
flat angles P-C4'-P energy: -47.737
tors. eta vs tors. theta energy: -58.479
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: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -554.766800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.766800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.766800 (E_RNA)
where:
Base-Base interactions energy: -340.565
where: short stacking energy: -185.655
Base-Backbone interact. energy: -0.321
local terms energy: -213.880503
where:
bonds (distance) C4'-P energy: -67.225
bonds (distance) P-C4' energy: -55.667
flat angles C4'-P-C4' energy: -42.248
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -22.793
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: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1479.561307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.561307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.561307 (E_RNA)
where:
Base-Base interactions energy: -1048.092
where: short stacking energy: -437.941
Base-Backbone interact. energy: 3.302
local terms energy: -434.770939
where:
bonds (distance) C4'-P energy: -76.945
bonds (distance) P-C4' energy: -87.720
flat angles C4'-P-C4' energy: -86.764
flat angles P-C4'-P energy: -60.155
tors. eta vs tors. theta energy: -123.187
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: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1335.855614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.855614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.855614 (E_RNA)
where:
Base-Base interactions energy: -934.465
where: short stacking energy: -380.063
Base-Backbone interact. energy: -2.530
local terms energy: -398.861045
where:
bonds (distance) C4'-P energy: -76.596
bonds (distance) P-C4' energy: -76.644
flat angles C4'-P-C4' energy: -78.768
flat angles P-C4'-P energy: -60.819
tors. eta vs tors. theta energy: -106.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1304.348401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.348401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.348401 (E_RNA)
where:
Base-Base interactions energy: -915.624
where: short stacking energy: -397.363
Base-Backbone interact. energy: -1.350
local terms energy: -387.374080
where:
bonds (distance) C4'-P energy: -58.528
bonds (distance) P-C4' energy: -74.493
flat angles C4'-P-C4' energy: -85.254
flat angles P-C4'-P energy: -53.808
tors. eta vs tors. theta energy: -115.291
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: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1268.500004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.500004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.500004 (E_RNA)
where:
Base-Base interactions energy: -897.682
where: short stacking energy: -370.895
Base-Backbone interact. energy: -0.498
local terms energy: -370.320078
where:
bonds (distance) C4'-P energy: -62.346
bonds (distance) P-C4' energy: -72.775
flat angles C4'-P-C4' energy: -78.248
flat angles P-C4'-P energy: -54.764
tors. eta vs tors. theta energy: -102.187
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: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1182.694026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.694026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.694026 (E_RNA)
where:
Base-Base interactions energy: -830.757
where: short stacking energy: -353.491
Base-Backbone interact. energy: -1.522
local terms energy: -350.414757
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -68.930
flat angles C4'-P-C4' energy: -78.099
flat angles P-C4'-P energy: -46.347
tors. eta vs tors. theta energy: -99.716
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: 383
Temperature: 1.150000
Total energy: -1217.589843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.589843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.589843 (E_RNA)
where:
Base-Base interactions energy: -881.281
where: short stacking energy: -372.321
Base-Backbone interact. energy: 1.127
local terms energy: -337.435152
where:
bonds (distance) C4'-P energy: -54.558
bonds (distance) P-C4' energy: -76.580
flat angles C4'-P-C4' energy: -73.028
flat angles P-C4'-P energy: -43.417
tors. eta vs tors. theta energy: -89.853
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: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1040.678497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.678497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.678497 (E_RNA)
where:
Base-Base interactions energy: -701.675
where: short stacking energy: -300.266
Base-Backbone interact. energy: -1.113
local terms energy: -337.890924
where:
bonds (distance) C4'-P energy: -62.592
bonds (distance) P-C4' energy: -68.157
flat angles C4'-P-C4' energy: -78.326
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -82.391
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: 383
Temperature: 1.250000
Total energy: -1031.785679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.785679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.785679 (E_RNA)
where:
Base-Base interactions energy: -726.453
where: short stacking energy: -315.436
Base-Backbone interact. energy: -0.932
local terms energy: -304.400238
where:
bonds (distance) C4'-P energy: -73.848
bonds (distance) P-C4' energy: -48.502
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -42.732
tors. eta vs tors. theta energy: -75.125
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: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -795.284283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.284283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.284283 (E_RNA)
where:
Base-Base interactions energy: -513.192
where: short stacking energy: -223.795
Base-Backbone interact. energy: -2.159
local terms energy: -279.932903
where:
bonds (distance) C4'-P energy: -63.407
bonds (distance) P-C4' energy: -65.193
flat angles C4'-P-C4' energy: -59.529
flat angles P-C4'-P energy: -47.820
tors. eta vs tors. theta energy: -43.985
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: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -570.965311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.965311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.965311 (E_RNA)
where:
Base-Base interactions energy: -341.765
where: short stacking energy: -155.748
Base-Backbone interact. energy: -0.330
local terms energy: -228.870749
where:
bonds (distance) C4'-P energy: -62.069
bonds (distance) P-C4' energy: -53.080
flat angles C4'-P-C4' energy: -64.648
flat angles P-C4'-P energy: -36.779
tors. eta vs tors. theta energy: -12.295
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: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1468.483568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.483568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.483568 (E_RNA)
where:
Base-Base interactions energy: -1059.178
where: short stacking energy: -440.311
Base-Backbone interact. energy: -0.771
local terms energy: -408.534567
where:
bonds (distance) C4'-P energy: -71.483
bonds (distance) P-C4' energy: -73.407
flat angles C4'-P-C4' energy: -85.287
flat angles P-C4'-P energy: -59.380
tors. eta vs tors. theta energy: -118.977
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: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1335.383233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.383233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.383233 (E_RNA)
where:
Base-Base interactions energy: -959.307
where: short stacking energy: -383.026
Base-Backbone interact. energy: -2.842
local terms energy: -373.234485
where:
bonds (distance) C4'-P energy: -66.479
bonds (distance) P-C4' energy: -75.089
flat angles C4'-P-C4' energy: -80.829
flat angles P-C4'-P energy: -51.090
tors. eta vs tors. theta energy: -99.748
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: 384
Temperature: 1.000000
Total energy: -1273.389253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.389253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.389253 (E_RNA)
where:
Base-Base interactions energy: -892.688
where: short stacking energy: -386.380
Base-Backbone interact. energy: 0.761
local terms energy: -381.462242
where:
bonds (distance) C4'-P energy: -57.769
bonds (distance) P-C4' energy: -79.655
flat angles C4'-P-C4' energy: -82.916
flat angles P-C4'-P energy: -51.938
tors. eta vs tors. theta energy: -109.184
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: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1271.378913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.378913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.378913 (E_RNA)
where:
Base-Base interactions energy: -902.212
where: short stacking energy: -371.596
Base-Backbone interact. energy: -2.228
local terms energy: -366.938713
where:
bonds (distance) C4'-P energy: -63.147
bonds (distance) P-C4' energy: -66.927
flat angles C4'-P-C4' energy: -75.861
flat angles P-C4'-P energy: -63.549
tors. eta vs tors. theta energy: -97.454
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: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1234.211424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.211424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.211424 (E_RNA)
where:
Base-Base interactions energy: -881.083
where: short stacking energy: -369.555
Base-Backbone interact. energy: -0.955
local terms energy: -352.174085
where:
bonds (distance) C4'-P energy: -65.091
bonds (distance) P-C4' energy: -66.243
flat angles C4'-P-C4' energy: -71.250
flat angles P-C4'-P energy: -48.930
tors. eta vs tors. theta energy: -100.659
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: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1175.686951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.686951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.686951 (E_RNA)
where:
Base-Base interactions energy: -840.061
where: short stacking energy: -345.071
Base-Backbone interact. energy: -1.173
local terms energy: -334.452421
where:
bonds (distance) C4'-P energy: -57.368
bonds (distance) P-C4' energy: -72.753
flat angles C4'-P-C4' energy: -66.079
flat angles P-C4'-P energy: -45.946
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: 7, replica: 4
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1058.158835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.158835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.158835 (E_RNA)
where:
Base-Base interactions energy: -735.680
where: short stacking energy: -307.862
Base-Backbone interact. energy: -0.812
local terms energy: -321.666426
where:
bonds (distance) C4'-P energy: -65.390
bonds (distance) P-C4' energy: -79.133
flat angles C4'-P-C4' energy: -55.884
flat angles P-C4'-P energy: -56.240
tors. eta vs tors. theta energy: -65.020
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: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1027.372456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.372456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.372456 (E_RNA)
where:
Base-Base interactions energy: -723.535
where: short stacking energy: -320.959
Base-Backbone interact. energy: 0.037
local terms energy: -303.874363
where:
bonds (distance) C4'-P energy: -39.650
bonds (distance) P-C4' energy: -65.633
flat angles C4'-P-C4' energy: -78.277
flat angles P-C4'-P energy: -44.122
tors. eta vs tors. theta energy: -76.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -810.131941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.131941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.131941 (E_RNA)
where:
Base-Base interactions energy: -547.915
where: short stacking energy: -242.592
Base-Backbone interact. energy: 3.458
local terms energy: -265.675406
where:
bonds (distance) C4'-P energy: -57.502
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -61.360
flat angles P-C4'-P energy: -43.825
tors. eta vs tors. theta energy: -44.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -562.753452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.753452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.753452 (E_RNA)
where:
Base-Base interactions energy: -333.653
where: short stacking energy: -176.391
Base-Backbone interact. energy: -0.088
local terms energy: -229.012560
where:
bonds (distance) C4'-P energy: -59.056
bonds (distance) P-C4' energy: -73.141
flat angles C4'-P-C4' energy: -47.744
flat angles P-C4'-P energy: -28.375
tors. eta vs tors. theta energy: -20.696
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: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1481.148091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.148091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.148091 (E_RNA)
where:
Base-Base interactions energy: -1065.004
where: short stacking energy: -430.859
Base-Backbone interact. energy: -0.154
local terms energy: -415.990073
where:
bonds (distance) C4'-P energy: -79.301
bonds (distance) P-C4' energy: -65.197
flat angles C4'-P-C4' energy: -88.465
flat angles P-C4'-P energy: -65.189
tors. eta vs tors. theta energy: -117.839
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: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1346.045525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.045525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.045525 (E_RNA)
where:
Base-Base interactions energy: -971.527
where: short stacking energy: -381.539
Base-Backbone interact. energy: -2.369
local terms energy: -372.149666
where:
bonds (distance) C4'-P energy: -62.317
bonds (distance) P-C4' energy: -71.771
flat angles C4'-P-C4' energy: -80.948
flat angles P-C4'-P energy: -57.078
tors. eta vs tors. theta energy: -100.036
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: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1283.471519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.471519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.471519 (E_RNA)
where:
Base-Base interactions energy: -894.036
where: short stacking energy: -380.713
Base-Backbone interact. energy: -1.054
local terms energy: -388.380983
where:
bonds (distance) C4'-P energy: -71.418
bonds (distance) P-C4' energy: -65.752
flat angles C4'-P-C4' energy: -89.640
flat angles P-C4'-P energy: -54.209
tors. eta vs tors. theta energy: -107.363
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: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1246.933471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.933471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.933471 (E_RNA)
where:
Base-Base interactions energy: -868.532
where: short stacking energy: -381.088
Base-Backbone interact. energy: -0.761
local terms energy: -377.641002
where:
bonds (distance) C4'-P energy: -60.791
bonds (distance) P-C4' energy: -78.111
flat angles C4'-P-C4' energy: -73.195
flat angles P-C4'-P energy: -47.997
tors. eta vs tors. theta energy: -117.548
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: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1268.938605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.938605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.938605 (E_RNA)
where:
Base-Base interactions energy: -891.201
where: short stacking energy: -383.437
Base-Backbone interact. energy: -1.983
local terms energy: -375.755008
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -66.286
flat angles C4'-P-C4' energy: -78.519
flat angles P-C4'-P energy: -47.908
tors. eta vs tors. theta energy: -110.397
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: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1164.617240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.617240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.617240 (E_RNA)
where:
Base-Base interactions energy: -806.651
where: short stacking energy: -333.688
Base-Backbone interact. energy: 2.488
local terms energy: -360.454079
where:
bonds (distance) C4'-P energy: -79.359
bonds (distance) P-C4' energy: -65.986
flat angles C4'-P-C4' energy: -78.166
flat angles P-C4'-P energy: -44.509
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: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1093.038333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.038333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.038333 (E_RNA)
where:
Base-Base interactions energy: -780.839
where: short stacking energy: -329.002
Base-Backbone interact. energy: 0.646
local terms energy: -312.844696
where:
bonds (distance) C4'-P energy: -61.533
bonds (distance) P-C4' energy: -68.490
flat angles C4'-P-C4' energy: -57.525
flat angles P-C4'-P energy: -43.534
tors. eta vs tors. theta energy: -81.763
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: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1046.586957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.586957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.586957 (E_RNA)
where:
Base-Base interactions energy: -730.095
where: short stacking energy: -298.344
Base-Backbone interact. energy: -2.482
local terms energy: -314.009712
where:
bonds (distance) C4'-P energy: -66.735
bonds (distance) P-C4' energy: -60.756
flat angles C4'-P-C4' energy: -61.929
flat angles P-C4'-P energy: -49.991
tors. eta vs tors. theta energy: -74.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -777.315059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.315059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.315059 (E_RNA)
where:
Base-Base interactions energy: -528.288
where: short stacking energy: -216.136
Base-Backbone interact. energy: -0.801
local terms energy: -248.225866
where:
bonds (distance) C4'-P energy: -53.452
bonds (distance) P-C4' energy: -48.381
flat angles C4'-P-C4' energy: -67.937
flat angles P-C4'-P energy: -42.172
tors. eta vs tors. theta energy: -36.284
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: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -588.081650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.081650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.081650 (E_RNA)
where:
Base-Base interactions energy: -373.278
where: short stacking energy: -158.627
Base-Backbone interact. energy: -0.633
local terms energy: -214.171079
where:
bonds (distance) C4'-P energy: -58.812
bonds (distance) P-C4' energy: -64.860
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -29.381
tors. eta vs tors. theta energy: -27.432
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: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1482.908010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.908010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.908010 (E_RNA)
where:
Base-Base interactions energy: -1051.365
where: short stacking energy: -424.455
Base-Backbone interact. energy: -0.832
local terms energy: -430.711027
where:
bonds (distance) C4'-P energy: -81.822
bonds (distance) P-C4' energy: -80.187
flat angles C4'-P-C4' energy: -85.714
flat angles P-C4'-P energy: -56.034
tors. eta vs tors. theta energy: -126.953
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: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1349.321572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.321572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.321572 (E_RNA)
where:
Base-Base interactions energy: -970.418
where: short stacking energy: -395.043
Base-Backbone interact. energy: -3.571
local terms energy: -375.332553
where:
bonds (distance) C4'-P energy: -67.596
bonds (distance) P-C4' energy: -72.767
flat angles C4'-P-C4' energy: -75.177
flat angles P-C4'-P energy: -56.770
tors. eta vs tors. theta energy: -103.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1307.081531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.081531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.081531 (E_RNA)
where:
Base-Base interactions energy: -907.125
where: short stacking energy: -396.241
Base-Backbone interact. energy: 0.146
local terms energy: -400.102903
where:
bonds (distance) C4'-P energy: -77.111
bonds (distance) P-C4' energy: -79.223
flat angles C4'-P-C4' energy: -90.185
flat angles P-C4'-P energy: -44.408
tors. eta vs tors. theta energy: -109.175
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: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1266.961590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.961590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.961590 (E_RNA)
where:
Base-Base interactions energy: -892.500
where: short stacking energy: -378.856
Base-Backbone interact. energy: -0.192
local terms energy: -374.269736
where:
bonds (distance) C4'-P energy: -68.112
bonds (distance) P-C4' energy: -72.331
flat angles C4'-P-C4' energy: -80.890
flat angles P-C4'-P energy: -51.209
tors. eta vs tors. theta energy: -101.727
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: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1248.511259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.511259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.511259 (E_RNA)
where:
Base-Base interactions energy: -882.561
where: short stacking energy: -377.475
Base-Backbone interact. energy: -0.916
local terms energy: -365.034628
where:
bonds (distance) C4'-P energy: -72.359
bonds (distance) P-C4' energy: -63.854
flat angles C4'-P-C4' energy: -73.810
flat angles P-C4'-P energy: -49.430
tors. eta vs tors. theta energy: -105.582
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: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1149.959442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.959442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.959442 (E_RNA)
where:
Base-Base interactions energy: -805.670
where: short stacking energy: -311.448
Base-Backbone interact. energy: 0.773
local terms energy: -345.062636
where:
bonds (distance) C4'-P energy: -69.093
bonds (distance) P-C4' energy: -77.205
flat angles C4'-P-C4' energy: -72.452
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -79.578
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: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1087.116419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.116419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.116419 (E_RNA)
where:
Base-Base interactions energy: -780.942
where: short stacking energy: -325.881
Base-Backbone interact. energy: -0.073
local terms energy: -306.101305
where:
bonds (distance) C4'-P energy: -42.428
bonds (distance) P-C4' energy: -65.391
flat angles C4'-P-C4' energy: -66.895
flat angles P-C4'-P energy: -49.244
tors. eta vs tors. theta energy: -82.142
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: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1069.577792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.577792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.577792 (E_RNA)
where:
Base-Base interactions energy: -764.772
where: short stacking energy: -316.580
Base-Backbone interact. energy: 0.095
local terms energy: -304.900225
where:
bonds (distance) C4'-P energy: -48.940
bonds (distance) P-C4' energy: -62.464
flat angles C4'-P-C4' energy: -69.169
flat angles P-C4'-P energy: -45.715
tors. eta vs tors. theta energy: -78.612
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: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -743.892107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.892107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.892107 (E_RNA)
where:
Base-Base interactions energy: -480.611
where: short stacking energy: -214.690
Base-Backbone interact. energy: -1.482
local terms energy: -261.799674
where:
bonds (distance) C4'-P energy: -60.691
bonds (distance) P-C4' energy: -60.521
flat angles C4'-P-C4' energy: -66.347
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -53.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -595.169355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.169355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.169355 (E_RNA)
where:
Base-Base interactions energy: -361.222
where: short stacking energy: -172.949
Base-Backbone interact. energy: -2.585
local terms energy: -231.362047
where:
bonds (distance) C4'-P energy: -60.301
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -10.675
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: 387
Temperature: 0.900000
Total energy: -1489.619216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.619216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.619216 (E_RNA)
where:
Base-Base interactions energy: -1051.155
where: short stacking energy: -436.687
Base-Backbone interact. energy: 0.092
local terms energy: -438.556749
where:
bonds (distance) C4'-P energy: -80.396
bonds (distance) P-C4' energy: -77.711
flat angles C4'-P-C4' energy: -88.113
flat angles P-C4'-P energy: -68.446
tors. eta vs tors. theta energy: -123.891
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: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1374.281064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.281064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.281064 (E_RNA)
where:
Base-Base interactions energy: -1000.476
where: short stacking energy: -382.162
Base-Backbone interact. energy: -2.037
local terms energy: -371.767804
where:
bonds (distance) C4'-P energy: -65.501
bonds (distance) P-C4' energy: -64.676
flat angles C4'-P-C4' energy: -81.515
flat angles P-C4'-P energy: -61.145
tors. eta vs tors. theta energy: -98.931
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: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1302.169490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.169490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.169490 (E_RNA)
where:
Base-Base interactions energy: -921.962
where: short stacking energy: -374.463
Base-Backbone interact. energy: -0.569
local terms energy: -379.638775
where:
bonds (distance) C4'-P energy: -64.899
bonds (distance) P-C4' energy: -75.379
flat angles C4'-P-C4' energy: -84.773
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: -100.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1276.944142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.944142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.944142 (E_RNA)
where:
Base-Base interactions energy: -892.887
where: short stacking energy: -379.237
Base-Backbone interact. energy: -0.930
local terms energy: -383.126878
where:
bonds (distance) C4'-P energy: -52.337
bonds (distance) P-C4' energy: -80.822
flat angles C4'-P-C4' energy: -88.877
flat angles P-C4'-P energy: -60.820
tors. eta vs tors. theta energy: -100.270
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: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1266.764203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.764203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.764203 (E_RNA)
where:
Base-Base interactions energy: -876.345
where: short stacking energy: -372.372
Base-Backbone interact. energy: -2.396
local terms energy: -388.022757
where:
bonds (distance) C4'-P energy: -65.181
bonds (distance) P-C4' energy: -78.751
flat angles C4'-P-C4' energy: -82.365
flat angles P-C4'-P energy: -51.414
tors. eta vs tors. theta energy: -110.312
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: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1173.379857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.379857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.379857 (E_RNA)
where:
Base-Base interactions energy: -814.081
where: short stacking energy: -330.667
Base-Backbone interact. energy: -3.476
local terms energy: -355.822859
where:
bonds (distance) C4'-P energy: -68.729
bonds (distance) P-C4' energy: -71.979
flat angles C4'-P-C4' energy: -76.428
flat angles P-C4'-P energy: -47.943
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: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1116.723235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.723235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.723235 (E_RNA)
where:
Base-Base interactions energy: -767.444
where: short stacking energy: -340.245
Base-Backbone interact. energy: -1.099
local terms energy: -348.180413
where:
bonds (distance) C4'-P energy: -68.804
bonds (distance) P-C4' energy: -67.783
flat angles C4'-P-C4' energy: -77.065
flat angles P-C4'-P energy: -51.087
tors. eta vs tors. theta energy: -83.442
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: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1031.349852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.349852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.349852 (E_RNA)
where:
Base-Base interactions energy: -736.946
where: short stacking energy: -300.496
Base-Backbone interact. energy: -1.642
local terms energy: -292.761946
where:
bonds (distance) C4'-P energy: -65.555
bonds (distance) P-C4' energy: -43.338
flat angles C4'-P-C4' energy: -60.687
flat angles P-C4'-P energy: -43.309
tors. eta vs tors. theta energy: -79.873
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: 387
Temperature: 1.300000
Total energy: -718.885860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.885860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.885860 (E_RNA)
where:
Base-Base interactions energy: -445.183
where: short stacking energy: -208.196
Base-Backbone interact. energy: -1.936
local terms energy: -271.767161
where:
bonds (distance) C4'-P energy: -55.937
bonds (distance) P-C4' energy: -63.598
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -43.549
tors. eta vs tors. theta energy: -43.712
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: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -600.677310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.677310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.677310 (E_RNA)
where:
Base-Base interactions energy: -350.689
where: short stacking energy: -157.685
Base-Backbone interact. energy: -0.025
local terms energy: -249.963423
where:
bonds (distance) C4'-P energy: -64.559
bonds (distance) P-C4' energy: -70.462
flat angles C4'-P-C4' energy: -55.902
flat angles P-C4'-P energy: -40.511
tors. eta vs tors. theta energy: -18.529
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: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1489.390698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.390698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.390698 (E_RNA)
where:
Base-Base interactions energy: -1071.506
where: short stacking energy: -453.359
Base-Backbone interact. energy: -1.063
local terms energy: -416.821728
where:
bonds (distance) C4'-P energy: -67.050
bonds (distance) P-C4' energy: -76.608
flat angles C4'-P-C4' energy: -91.296
flat angles P-C4'-P energy: -60.373
tors. eta vs tors. theta energy: -121.495
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: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1364.598977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.598977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.598977 (E_RNA)
where:
Base-Base interactions energy: -975.461
where: short stacking energy: -394.201
Base-Backbone interact. energy: -1.007
local terms energy: -388.130713
where:
bonds (distance) C4'-P energy: -75.578
bonds (distance) P-C4' energy: -75.439
flat angles C4'-P-C4' energy: -75.367
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -106.935
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: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1295.813956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.813956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.813956 (E_RNA)
where:
Base-Base interactions energy: -910.752
where: short stacking energy: -384.347
Base-Backbone interact. energy: -2.224
local terms energy: -382.837952
where:
bonds (distance) C4'-P energy: -82.358
bonds (distance) P-C4' energy: -62.452
flat angles C4'-P-C4' energy: -77.618
flat angles P-C4'-P energy: -56.510
tors. eta vs tors. theta energy: -103.901
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: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1277.823352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.823352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.823352 (E_RNA)
where:
Base-Base interactions energy: -888.278
where: short stacking energy: -379.071
Base-Backbone interact. energy: -1.655
local terms energy: -387.890396
where:
bonds (distance) C4'-P energy: -80.935
bonds (distance) P-C4' energy: -72.337
flat angles C4'-P-C4' energy: -79.289
flat angles P-C4'-P energy: -49.551
tors. eta vs tors. theta energy: -105.778
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: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1259.377806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.377806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.377806 (E_RNA)
where:
Base-Base interactions energy: -894.722
where: short stacking energy: -374.278
Base-Backbone interact. energy: -0.300
local terms energy: -364.355668
where:
bonds (distance) C4'-P energy: -61.265
bonds (distance) P-C4' energy: -64.528
flat angles C4'-P-C4' energy: -80.142
flat angles P-C4'-P energy: -55.856
tors. eta vs tors. theta energy: -102.565
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: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1159.592258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.592258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.592258 (E_RNA)
where:
Base-Base interactions energy: -819.671
where: short stacking energy: -349.638
Base-Backbone interact. energy: 0.025
local terms energy: -339.946133
where:
bonds (distance) C4'-P energy: -74.813
bonds (distance) P-C4' energy: -64.122
flat angles C4'-P-C4' energy: -65.742
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -89.641
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: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1098.631606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.631606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.631606 (E_RNA)
where:
Base-Base interactions energy: -794.405
where: short stacking energy: -325.390
Base-Backbone interact. energy: -0.766
local terms energy: -303.460421
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -72.305
flat angles C4'-P-C4' energy: -72.398
flat angles P-C4'-P energy: -33.735
tors. eta vs tors. theta energy: -71.010
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: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1027.913196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.913196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.913196 (E_RNA)
where:
Base-Base interactions energy: -710.106
where: short stacking energy: -280.412
Base-Backbone interact. energy: -0.600
local terms energy: -317.207051
where:
bonds (distance) C4'-P energy: -67.377
bonds (distance) P-C4' energy: -65.633
flat angles C4'-P-C4' energy: -75.440
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: -73.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -706.886479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.886479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.886479 (E_RNA)
where:
Base-Base interactions energy: -437.697
where: short stacking energy: -200.131
Base-Backbone interact. energy: 1.454
local terms energy: -270.642964
where:
bonds (distance) C4'-P energy: -63.150
bonds (distance) P-C4' energy: -62.439
flat angles C4'-P-C4' energy: -62.667
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -43.655
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: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -563.588189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.588189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.588189 (E_RNA)
where:
Base-Base interactions energy: -332.678
where: short stacking energy: -165.683
Base-Backbone interact. energy: -1.889
local terms energy: -229.021564
where:
bonds (distance) C4'-P energy: -41.100
bonds (distance) P-C4' energy: -64.848
flat angles C4'-P-C4' energy: -64.486
flat angles P-C4'-P energy: -31.136
tors. eta vs tors. theta energy: -27.452
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: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1488.796415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.796415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.796415 (E_RNA)
where:
Base-Base interactions energy: -1065.317
where: short stacking energy: -433.072
Base-Backbone interact. energy: -1.306
local terms energy: -422.174309
where:
bonds (distance) C4'-P energy: -72.275
bonds (distance) P-C4' energy: -87.035
flat angles C4'-P-C4' energy: -87.048
flat angles P-C4'-P energy: -56.112
tors. eta vs tors. theta energy: -119.704
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: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1362.715074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.715074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.715074 (E_RNA)
where:
Base-Base interactions energy: -957.269
where: short stacking energy: -393.254
Base-Backbone interact. energy: -1.347
local terms energy: -404.099201
where:
bonds (distance) C4'-P energy: -75.383
bonds (distance) P-C4' energy: -76.018
flat angles C4'-P-C4' energy: -81.332
flat angles P-C4'-P energy: -60.709
tors. eta vs tors. theta energy: -110.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1301.689516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.689516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.689516 (E_RNA)
where:
Base-Base interactions energy: -906.979
where: short stacking energy: -397.926
Base-Backbone interact. energy: 1.431
local terms energy: -396.141729
where:
bonds (distance) C4'-P energy: -81.024
bonds (distance) P-C4' energy: -74.229
flat angles C4'-P-C4' energy: -80.116
flat angles P-C4'-P energy: -56.957
tors. eta vs tors. theta energy: -103.815
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: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1289.326750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.326750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.326750 (E_RNA)
where:
Base-Base interactions energy: -889.893
where: short stacking energy: -354.057
Base-Backbone interact. energy: 1.966
local terms energy: -401.400182
where:
bonds (distance) C4'-P energy: -72.824
bonds (distance) P-C4' energy: -74.950
flat angles C4'-P-C4' energy: -87.082
flat angles P-C4'-P energy: -60.642
tors. eta vs tors. theta energy: -105.902
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: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1243.056696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.056696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.056696 (E_RNA)
where:
Base-Base interactions energy: -879.433
where: short stacking energy: -383.082
Base-Backbone interact. energy: -1.337
local terms energy: -362.286644
where:
bonds (distance) C4'-P energy: -73.584
bonds (distance) P-C4' energy: -60.053
flat angles C4'-P-C4' energy: -80.002
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -100.041
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: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1171.727083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.727083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.727083 (E_RNA)
where:
Base-Base interactions energy: -833.029
where: short stacking energy: -355.086
Base-Backbone interact. energy: -0.668
local terms energy: -338.029901
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -58.321
flat angles C4'-P-C4' energy: -79.050
flat angles P-C4'-P energy: -52.691
tors. eta vs tors. theta energy: -92.722
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: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1119.889001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.889001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.889001 (E_RNA)
where:
Base-Base interactions energy: -799.644
where: short stacking energy: -331.788
Base-Backbone interact. energy: -1.455
local terms energy: -318.789442
where:
bonds (distance) C4'-P energy: -51.419
bonds (distance) P-C4' energy: -62.517
flat angles C4'-P-C4' energy: -75.886
flat angles P-C4'-P energy: -42.398
tors. eta vs tors. theta energy: -86.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1037.322747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.322747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.322747 (E_RNA)
where:
Base-Base interactions energy: -733.234
where: short stacking energy: -305.323
Base-Backbone interact. energy: 5.077
local terms energy: -309.165571
where:
bonds (distance) C4'-P energy: -54.132
bonds (distance) P-C4' energy: -61.448
flat angles C4'-P-C4' energy: -75.007
flat angles P-C4'-P energy: -52.806
tors. eta vs tors. theta energy: -65.771
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: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -691.457153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.457153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.457153 (E_RNA)
where:
Base-Base interactions energy: -434.285
where: short stacking energy: -202.846
Base-Backbone interact. energy: -1.626
local terms energy: -255.546046
where:
bonds (distance) C4'-P energy: -61.955
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -61.009
flat angles P-C4'-P energy: -29.892
tors. eta vs tors. theta energy: -35.214
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: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -603.084702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.084702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.084702 (E_RNA)
where:
Base-Base interactions energy: -365.811
where: short stacking energy: -168.298
Base-Backbone interact. energy: -0.163
local terms energy: -237.110486
where:
bonds (distance) C4'-P energy: -48.817
bonds (distance) P-C4' energy: -69.837
flat angles C4'-P-C4' energy: -52.466
flat angles P-C4'-P energy: -41.769
tors. eta vs tors. theta energy: -24.222
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: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1493.604531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.604531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.604531 (E_RNA)
where:
Base-Base interactions energy: -1074.011
where: short stacking energy: -439.551
Base-Backbone interact. energy: -0.747
local terms energy: -418.846771
where:
bonds (distance) C4'-P energy: -70.098
bonds (distance) P-C4' energy: -74.106
flat angles C4'-P-C4' energy: -91.378
flat angles P-C4'-P energy: -59.484
tors. eta vs tors. theta energy: -123.781
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: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1370.735112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.735112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.735112 (E_RNA)
where:
Base-Base interactions energy: -980.779
where: short stacking energy: -393.756
Base-Backbone interact. energy: 0.328
local terms energy: -390.284126
where:
bonds (distance) C4'-P energy: -67.381
bonds (distance) P-C4' energy: -84.718
flat angles C4'-P-C4' energy: -75.230
flat angles P-C4'-P energy: -59.377
tors. eta vs tors. theta energy: -103.577
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: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1329.545061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.545061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.545061 (E_RNA)
where:
Base-Base interactions energy: -946.518
where: short stacking energy: -396.283
Base-Backbone interact. energy: -1.240
local terms energy: -381.787246
where:
bonds (distance) C4'-P energy: -66.681
bonds (distance) P-C4' energy: -73.400
flat angles C4'-P-C4' energy: -82.661
flat angles P-C4'-P energy: -56.482
tors. eta vs tors. theta energy: -102.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1299.946785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.946785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.946785 (E_RNA)
where:
Base-Base interactions energy: -925.447
where: short stacking energy: -397.160
Base-Backbone interact. energy: -0.523
local terms energy: -373.977031
where:
bonds (distance) C4'-P energy: -61.465
bonds (distance) P-C4' energy: -72.327
flat angles C4'-P-C4' energy: -78.841
flat angles P-C4'-P energy: -47.115
tors. eta vs tors. theta energy: -114.229
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: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1231.425015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.425015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.425015 (E_RNA)
where:
Base-Base interactions energy: -873.559
where: short stacking energy: -348.826
Base-Backbone interact. energy: -1.539
local terms energy: -356.327809
where:
bonds (distance) C4'-P energy: -51.446
bonds (distance) P-C4' energy: -71.054
flat angles C4'-P-C4' energy: -85.907
flat angles P-C4'-P energy: -55.731
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: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1187.630650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.630650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.630650 (E_RNA)
where:
Base-Base interactions energy: -856.830
where: short stacking energy: -332.770
Base-Backbone interact. energy: -0.673
local terms energy: -330.127195
where:
bonds (distance) C4'-P energy: -66.505
bonds (distance) P-C4' energy: -54.005
flat angles C4'-P-C4' energy: -72.718
flat angles P-C4'-P energy: -52.931
tors. eta vs tors. theta energy: -83.968
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: 390
Temperature: 1.200000
Total energy: -1096.970916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.970916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.970916 (E_RNA)
where:
Base-Base interactions energy: -756.941
where: short stacking energy: -309.460
Base-Backbone interact. energy: 2.333
local terms energy: -342.363511
where:
bonds (distance) C4'-P energy: -65.505
bonds (distance) P-C4' energy: -67.697
flat angles C4'-P-C4' energy: -73.283
flat angles P-C4'-P energy: -47.918
tors. eta vs tors. theta energy: -87.960
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: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1010.775672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.775672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.775672 (E_RNA)
where:
Base-Base interactions energy: -723.006
where: short stacking energy: -287.636
Base-Backbone interact. energy: -0.400
local terms energy: -287.370292
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -63.298
flat angles C4'-P-C4' energy: -61.261
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: -66.885
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: 390
Temperature: 1.300000
Total energy: -718.671307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.671307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.671307 (E_RNA)
where:
Base-Base interactions energy: -471.308
where: short stacking energy: -209.564
Base-Backbone interact. energy: 0.418
local terms energy: -247.781829
where:
bonds (distance) C4'-P energy: -55.835
bonds (distance) P-C4' energy: -61.097
flat angles C4'-P-C4' energy: -56.171
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: -38.873
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: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -607.677483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.677483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.677483 (E_RNA)
where:
Base-Base interactions energy: -375.984
where: short stacking energy: -159.940
Base-Backbone interact. energy: -0.924
local terms energy: -230.769424
where:
bonds (distance) C4'-P energy: -55.733
bonds (distance) P-C4' energy: -69.046
flat angles C4'-P-C4' energy: -59.726
flat angles P-C4'-P energy: -21.367
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1495.249255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.249255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.249255 (E_RNA)
where:
Base-Base interactions energy: -1068.228
where: short stacking energy: -434.744
Base-Backbone interact. energy: 1.881
local terms energy: -428.901954
where:
bonds (distance) C4'-P energy: -81.912
bonds (distance) P-C4' energy: -83.717
flat angles C4'-P-C4' energy: -87.871
flat angles P-C4'-P energy: -61.114
tors. eta vs tors. theta energy: -114.288
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: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1354.727407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.727407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.727407 (E_RNA)
where:
Base-Base interactions energy: -951.846
where: short stacking energy: -383.784
Base-Backbone interact. energy: -0.611
local terms energy: -402.271142
where:
bonds (distance) C4'-P energy: -72.130
bonds (distance) P-C4' energy: -73.330
flat angles C4'-P-C4' energy: -90.831
flat angles P-C4'-P energy: -63.806
tors. eta vs tors. theta energy: -102.175
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: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1343.821733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.821733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.821733 (E_RNA)
where:
Base-Base interactions energy: -967.887
where: short stacking energy: -398.232
Base-Backbone interact. energy: 1.196
local terms energy: -377.130923
where:
bonds (distance) C4'-P energy: -64.597
bonds (distance) P-C4' energy: -75.114
flat angles C4'-P-C4' energy: -77.879
flat angles P-C4'-P energy: -53.954
tors. eta vs tors. theta energy: -105.586
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: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1285.864426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.864426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.864426 (E_RNA)
where:
Base-Base interactions energy: -886.903
where: short stacking energy: -376.732
Base-Backbone interact. energy: -1.063
local terms energy: -397.898886
where:
bonds (distance) C4'-P energy: -76.348
bonds (distance) P-C4' energy: -72.748
flat angles C4'-P-C4' energy: -80.203
flat angles P-C4'-P energy: -58.875
tors. eta vs tors. theta energy: -109.724
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: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1234.073098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.073098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.073098 (E_RNA)
where:
Base-Base interactions energy: -877.426
where: short stacking energy: -370.102
Base-Backbone interact. energy: 0.901
local terms energy: -357.547897
where:
bonds (distance) C4'-P energy: -54.322
bonds (distance) P-C4' energy: -67.297
flat angles C4'-P-C4' energy: -83.935
flat angles P-C4'-P energy: -49.049
tors. eta vs tors. theta energy: -102.944
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: 391
Temperature: 1.150000
Total energy: -1164.458097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.458097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.458097 (E_RNA)
where:
Base-Base interactions energy: -820.107
where: short stacking energy: -322.422
Base-Backbone interact. energy: 2.743
local terms energy: -347.093251
where:
bonds (distance) C4'-P energy: -72.614
bonds (distance) P-C4' energy: -76.021
flat angles C4'-P-C4' energy: -66.747
flat angles P-C4'-P energy: -48.941
tors. eta vs tors. theta energy: -82.771
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: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1121.147323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.147323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.147323 (E_RNA)
where:
Base-Base interactions energy: -780.380
where: short stacking energy: -316.071
Base-Backbone interact. energy: 1.268
local terms energy: -342.034625
where:
bonds (distance) C4'-P energy: -64.800
bonds (distance) P-C4' energy: -63.784
flat angles C4'-P-C4' energy: -70.405
flat angles P-C4'-P energy: -51.879
tors. eta vs tors. theta energy: -91.167
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: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1042.664190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.664190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.664190 (E_RNA)
where:
Base-Base interactions energy: -712.021
where: short stacking energy: -291.011
Base-Backbone interact. energy: -0.639
local terms energy: -330.003502
where:
bonds (distance) C4'-P energy: -61.854
bonds (distance) P-C4' energy: -72.168
flat angles C4'-P-C4' energy: -72.767
flat angles P-C4'-P energy: -44.267
tors. eta vs tors. theta energy: -78.948
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: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -738.158461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.158461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.158461 (E_RNA)
where:
Base-Base interactions energy: -477.834
where: short stacking energy: -201.619
Base-Backbone interact. energy: -0.695
local terms energy: -259.629055
where:
bonds (distance) C4'-P energy: -68.104
bonds (distance) P-C4' energy: -58.029
flat angles C4'-P-C4' energy: -53.519
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -35.360
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: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -614.224256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.224256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.224256 (E_RNA)
where:
Base-Base interactions energy: -347.439
where: short stacking energy: -161.361
Base-Backbone interact. energy: -0.012
local terms energy: -266.773015
where:
bonds (distance) C4'-P energy: -51.464
bonds (distance) P-C4' energy: -69.942
flat angles C4'-P-C4' energy: -71.662
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -28.750
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: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1482.016569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.016569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.016569 (E_RNA)
where:
Base-Base interactions energy: -1062.990
where: short stacking energy: -420.885
Base-Backbone interact. energy: -1.425
local terms energy: -417.600958
where:
bonds (distance) C4'-P energy: -80.624
bonds (distance) P-C4' energy: -74.309
flat angles C4'-P-C4' energy: -91.031
flat angles P-C4'-P energy: -50.709
tors. eta vs tors. theta energy: -120.928
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: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1362.038719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.038719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.038719 (E_RNA)
where:
Base-Base interactions energy: -983.548
where: short stacking energy: -408.027
Base-Backbone interact. energy: -0.264
local terms energy: -378.227286
where:
bonds (distance) C4'-P energy: -65.281
bonds (distance) P-C4' energy: -59.338
flat angles C4'-P-C4' energy: -84.692
flat angles P-C4'-P energy: -62.646
tors. eta vs tors. theta energy: -106.269
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: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1355.283153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.283153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.283153 (E_RNA)
where:
Base-Base interactions energy: -972.327
where: short stacking energy: -406.327
Base-Backbone interact. energy: -0.139
local terms energy: -382.817233
where:
bonds (distance) C4'-P energy: -66.938
bonds (distance) P-C4' energy: -61.078
flat angles C4'-P-C4' energy: -89.614
flat angles P-C4'-P energy: -64.998
tors. eta vs tors. theta energy: -100.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1298.172871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.172871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.172871 (E_RNA)
where:
Base-Base interactions energy: -930.177
where: short stacking energy: -383.774
Base-Backbone interact. energy: -0.567
local terms energy: -367.428819
where:
bonds (distance) C4'-P energy: -68.362
bonds (distance) P-C4' energy: -59.121
flat angles C4'-P-C4' energy: -82.855
flat angles P-C4'-P energy: -46.712
tors. eta vs tors. theta energy: -110.378
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: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1262.949858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.949858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.949858 (E_RNA)
where:
Base-Base interactions energy: -876.087
where: short stacking energy: -379.513
Base-Backbone interact. energy: -1.415
local terms energy: -385.447989
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -74.854
flat angles C4'-P-C4' energy: -78.420
flat angles P-C4'-P energy: -56.856
tors. eta vs tors. theta energy: -103.902
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: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1170.770452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.770452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.770452 (E_RNA)
where:
Base-Base interactions energy: -842.646
where: short stacking energy: -354.862
Base-Backbone interact. energy: -0.677
local terms energy: -327.447409
where:
bonds (distance) C4'-P energy: -55.592
bonds (distance) P-C4' energy: -64.474
flat angles C4'-P-C4' energy: -73.013
flat angles P-C4'-P energy: -35.822
tors. eta vs tors. theta energy: -98.546
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: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1106.758498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.758498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.758498 (E_RNA)
where:
Base-Base interactions energy: -770.913
where: short stacking energy: -316.203
Base-Backbone interact. energy: -1.311
local terms energy: -334.535096
where:
bonds (distance) C4'-P energy: -57.387
bonds (distance) P-C4' energy: -60.423
flat angles C4'-P-C4' energy: -76.048
flat angles P-C4'-P energy: -49.435
tors. eta vs tors. theta energy: -91.242
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: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1066.221260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.221260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.221260 (E_RNA)
where:
Base-Base interactions energy: -748.697
where: short stacking energy: -318.256
Base-Backbone interact. energy: -2.641
local terms energy: -314.883859
where:
bonds (distance) C4'-P energy: -66.914
bonds (distance) P-C4' energy: -57.545
flat angles C4'-P-C4' energy: -60.736
flat angles P-C4'-P energy: -42.725
tors. eta vs tors. theta energy: -86.965
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: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -788.116820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.116820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.116820 (E_RNA)
where:
Base-Base interactions energy: -532.486
where: short stacking energy: -241.683
Base-Backbone interact. energy: 1.387
local terms energy: -257.017081
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -54.201
flat angles C4'-P-C4' energy: -59.921
flat angles P-C4'-P energy: -47.986
tors. eta vs tors. theta energy: -43.997
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: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -572.616294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.616294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.616294 (E_RNA)
where:
Base-Base interactions energy: -365.893
where: short stacking energy: -163.239
Base-Backbone interact. energy: -0.051
local terms energy: -206.672805
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -55.323
flat angles P-C4'-P energy: -39.851
tors. eta vs tors. theta energy: -19.752
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: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1471.356027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.356027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.356027 (E_RNA)
where:
Base-Base interactions energy: -1058.415
where: short stacking energy: -420.765
Base-Backbone interact. energy: -1.742
local terms energy: -411.198728
where:
bonds (distance) C4'-P energy: -77.206
bonds (distance) P-C4' energy: -77.111
flat angles C4'-P-C4' energy: -88.449
flat angles P-C4'-P energy: -55.261
tors. eta vs tors. theta energy: -113.173
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: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1369.754558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.754558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.754558 (E_RNA)
where:
Base-Base interactions energy: -995.765
where: short stacking energy: -406.148
Base-Backbone interact. energy: -1.554
local terms energy: -372.435674
where:
bonds (distance) C4'-P energy: -55.305
bonds (distance) P-C4' energy: -73.533
flat angles C4'-P-C4' energy: -83.865
flat angles P-C4'-P energy: -51.965
tors. eta vs tors. theta energy: -107.768
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: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1334.445480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.445480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.445480 (E_RNA)
where:
Base-Base interactions energy: -953.386
where: short stacking energy: -389.089
Base-Backbone interact. energy: -1.620
local terms energy: -379.439902
where:
bonds (distance) C4'-P energy: -81.940
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -76.200
flat angles P-C4'-P energy: -54.999
tors. eta vs tors. theta energy: -99.113
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: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1267.674827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.674827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.674827 (E_RNA)
where:
Base-Base interactions energy: -902.797
where: short stacking energy: -384.832
Base-Backbone interact. energy: -1.580
local terms energy: -363.297165
where:
bonds (distance) C4'-P energy: -65.521
bonds (distance) P-C4' energy: -68.231
flat angles C4'-P-C4' energy: -69.708
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: -109.294
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: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1244.159399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.159399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.159399 (E_RNA)
where:
Base-Base interactions energy: -868.585
where: short stacking energy: -365.020
Base-Backbone interact. energy: -0.007
local terms energy: -375.567117
where:
bonds (distance) C4'-P energy: -68.924
bonds (distance) P-C4' energy: -72.006
flat angles C4'-P-C4' energy: -80.595
flat angles P-C4'-P energy: -48.900
tors. eta vs tors. theta energy: -105.142
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: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1171.208898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.208898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.208898 (E_RNA)
where:
Base-Base interactions energy: -822.521
where: short stacking energy: -339.602
Base-Backbone interact. energy: -1.639
local terms energy: -347.048785
where:
bonds (distance) C4'-P energy: -70.490
bonds (distance) P-C4' energy: -61.815
flat angles C4'-P-C4' energy: -78.618
flat angles P-C4'-P energy: -44.047
tors. eta vs tors. theta energy: -92.078
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: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1106.764541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.764541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.764541 (E_RNA)
where:
Base-Base interactions energy: -787.575
where: short stacking energy: -324.939
Base-Backbone interact. energy: -0.690
local terms energy: -318.499781
where:
bonds (distance) C4'-P energy: -58.330
bonds (distance) P-C4' energy: -61.539
flat angles C4'-P-C4' energy: -77.923
flat angles P-C4'-P energy: -37.063
tors. eta vs tors. theta energy: -83.644
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: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1047.930211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.930211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.930211 (E_RNA)
where:
Base-Base interactions energy: -713.237
where: short stacking energy: -314.654
Base-Backbone interact. energy: -0.366
local terms energy: -334.327823
where:
bonds (distance) C4'-P energy: -67.904
bonds (distance) P-C4' energy: -57.273
flat angles C4'-P-C4' energy: -76.867
flat angles P-C4'-P energy: -41.370
tors. eta vs tors. theta energy: -90.913
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: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -769.875434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.875434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.875434 (E_RNA)
where:
Base-Base interactions energy: -501.246
where: short stacking energy: -214.327
Base-Backbone interact. energy: -0.754
local terms energy: -267.875052
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -69.283
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -32.555
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: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -635.861105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.861105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.861105 (E_RNA)
where:
Base-Base interactions energy: -399.480
where: short stacking energy: -173.503
Base-Backbone interact. energy: -2.053
local terms energy: -234.328121
where:
bonds (distance) C4'-P energy: -58.610
bonds (distance) P-C4' energy: -52.837
flat angles C4'-P-C4' energy: -50.069
flat angles P-C4'-P energy: -40.154
tors. eta vs tors. theta energy: -32.658
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: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1467.422551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.422551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.422551 (E_RNA)
where:
Base-Base interactions energy: -1058.862
where: short stacking energy: -442.264
Base-Backbone interact. energy: -1.556
local terms energy: -407.005174
where:
bonds (distance) C4'-P energy: -71.686
bonds (distance) P-C4' energy: -76.850
flat angles C4'-P-C4' energy: -86.104
flat angles P-C4'-P energy: -55.234
tors. eta vs tors. theta energy: -117.131
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: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1384.117918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.117918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.117918 (E_RNA)
where:
Base-Base interactions energy: -1017.049
where: short stacking energy: -418.768
Base-Backbone interact. energy: 0.464
local terms energy: -367.532520
where:
bonds (distance) C4'-P energy: -58.604
bonds (distance) P-C4' energy: -76.034
flat angles C4'-P-C4' energy: -82.738
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -101.045
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: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1300.275546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.275546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.275546 (E_RNA)
where:
Base-Base interactions energy: -930.408
where: short stacking energy: -402.613
Base-Backbone interact. energy: 2.032
local terms energy: -371.899306
where:
bonds (distance) C4'-P energy: -63.012
bonds (distance) P-C4' energy: -72.101
flat angles C4'-P-C4' energy: -75.571
flat angles P-C4'-P energy: -58.131
tors. eta vs tors. theta energy: -103.083
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: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1285.639016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.639016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.639016 (E_RNA)
where:
Base-Base interactions energy: -907.030
where: short stacking energy: -358.225
Base-Backbone interact. energy: -1.899
local terms energy: -376.710180
where:
bonds (distance) C4'-P energy: -73.772
bonds (distance) P-C4' energy: -70.141
flat angles C4'-P-C4' energy: -76.118
flat angles P-C4'-P energy: -51.889
tors. eta vs tors. theta energy: -104.790
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: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1247.592750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.592750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.592750 (E_RNA)
where:
Base-Base interactions energy: -873.902
where: short stacking energy: -356.512
Base-Backbone interact. energy: 3.369
local terms energy: -377.059940
where:
bonds (distance) C4'-P energy: -66.995
bonds (distance) P-C4' energy: -84.588
flat angles C4'-P-C4' energy: -69.549
flat angles P-C4'-P energy: -55.018
tors. eta vs tors. theta energy: -100.911
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: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1200.042336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.042336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.042336 (E_RNA)
where:
Base-Base interactions energy: -850.725
where: short stacking energy: -353.323
Base-Backbone interact. energy: -1.626
local terms energy: -347.691210
where:
bonds (distance) C4'-P energy: -58.092
bonds (distance) P-C4' energy: -77.713
flat angles C4'-P-C4' energy: -71.982
flat angles P-C4'-P energy: -50.690
tors. eta vs tors. theta energy: -89.214
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: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1102.361027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.361027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.361027 (E_RNA)
where:
Base-Base interactions energy: -795.112
where: short stacking energy: -314.213
Base-Backbone interact. energy: -0.846
local terms energy: -306.403060
where:
bonds (distance) C4'-P energy: -53.429
bonds (distance) P-C4' energy: -64.007
flat angles C4'-P-C4' energy: -60.471
flat angles P-C4'-P energy: -45.316
tors. eta vs tors. theta energy: -83.180
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: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1041.117317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.117317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.117317 (E_RNA)
where:
Base-Base interactions energy: -719.783
where: short stacking energy: -319.810
Base-Backbone interact. energy: -0.412
local terms energy: -320.922255
where:
bonds (distance) C4'-P energy: -54.751
bonds (distance) P-C4' energy: -59.992
flat angles C4'-P-C4' energy: -69.883
flat angles P-C4'-P energy: -49.731
tors. eta vs tors. theta energy: -86.564
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: 394
Temperature: 1.300000
Total energy: -707.507016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.507016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.507016 (E_RNA)
where:
Base-Base interactions energy: -454.437
where: short stacking energy: -216.717
Base-Backbone interact. energy: -0.616
local terms energy: -252.454762
where:
bonds (distance) C4'-P energy: -52.750
bonds (distance) P-C4' energy: -57.467
flat angles C4'-P-C4' energy: -61.457
flat angles P-C4'-P energy: -45.055
tors. eta vs tors. theta energy: -35.726
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: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -644.400136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.400136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.400136 (E_RNA)
where:
Base-Base interactions energy: -413.032
where: short stacking energy: -195.652
Base-Backbone interact. energy: 1.000
local terms energy: -232.368256
where:
bonds (distance) C4'-P energy: -60.277
bonds (distance) P-C4' energy: -47.536
flat angles C4'-P-C4' energy: -57.402
flat angles P-C4'-P energy: -34.194
tors. eta vs tors. theta energy: -32.960
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: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1454.941845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.941845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.941845 (E_RNA)
where:
Base-Base interactions energy: -1039.570
where: short stacking energy: -433.932
Base-Backbone interact. energy: -1.391
local terms energy: -413.980961
where:
bonds (distance) C4'-P energy: -72.633
bonds (distance) P-C4' energy: -78.428
flat angles C4'-P-C4' energy: -92.010
flat angles P-C4'-P energy: -52.724
tors. eta vs tors. theta energy: -118.187
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: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1370.225945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.225945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.225945 (E_RNA)
where:
Base-Base interactions energy: -977.454
where: short stacking energy: -395.697
Base-Backbone interact. energy: -2.163
local terms energy: -390.609764
where:
bonds (distance) C4'-P energy: -70.205
bonds (distance) P-C4' energy: -75.799
flat angles C4'-P-C4' energy: -89.066
flat angles P-C4'-P energy: -53.705
tors. eta vs tors. theta energy: -101.834
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: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1298.413391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.413391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.413391 (E_RNA)
where:
Base-Base interactions energy: -904.555
where: short stacking energy: -398.113
Base-Backbone interact. energy: -1.686
local terms energy: -392.171900
where:
bonds (distance) C4'-P energy: -69.608
bonds (distance) P-C4' energy: -72.758
flat angles C4'-P-C4' energy: -85.015
flat angles P-C4'-P energy: -56.077
tors. eta vs tors. theta energy: -108.715
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: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1300.207976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.207976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.207976 (E_RNA)
where:
Base-Base interactions energy: -924.902
where: short stacking energy: -385.439
Base-Backbone interact. energy: -0.625
local terms energy: -374.680832
where:
bonds (distance) C4'-P energy: -75.313
bonds (distance) P-C4' energy: -71.401
flat angles C4'-P-C4' energy: -77.586
flat angles P-C4'-P energy: -47.638
tors. eta vs tors. theta energy: -102.743
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: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1245.877662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.877662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.877662 (E_RNA)
where:
Base-Base interactions energy: -894.005
where: short stacking energy: -367.713
Base-Backbone interact. energy: 3.176
local terms energy: -355.048956
where:
bonds (distance) C4'-P energy: -58.590
bonds (distance) P-C4' energy: -64.322
flat angles C4'-P-C4' energy: -82.991
flat angles P-C4'-P energy: -46.675
tors. eta vs tors. theta energy: -102.471
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: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1187.335725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.335725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.335725 (E_RNA)
where:
Base-Base interactions energy: -841.754
where: short stacking energy: -359.326
Base-Backbone interact. energy: -2.037
local terms energy: -343.544722
where:
bonds (distance) C4'-P energy: -61.373
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -68.144
flat angles P-C4'-P energy: -54.794
tors. eta vs tors. theta energy: -102.316
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: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1067.323757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.323757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.323757 (E_RNA)
where:
Base-Base interactions energy: -742.437
where: short stacking energy: -306.994
Base-Backbone interact. energy: -0.223
local terms energy: -324.663579
where:
bonds (distance) C4'-P energy: -59.516
bonds (distance) P-C4' energy: -71.657
flat angles C4'-P-C4' energy: -77.670
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -89.372
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: 395
Temperature: 1.250000
Total energy: -1037.512896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.512896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.512896 (E_RNA)
where:
Base-Base interactions energy: -717.474
where: short stacking energy: -307.012
Base-Backbone interact. energy: -0.730
local terms energy: -319.308701
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -59.334
flat angles C4'-P-C4' energy: -71.752
flat angles P-C4'-P energy: -48.601
tors. eta vs tors. theta energy: -86.668
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: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -783.353931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.353931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.353931 (E_RNA)
where:
Base-Base interactions energy: -532.327
where: short stacking energy: -238.927
Base-Backbone interact. energy: -0.519
local terms energy: -250.507505
where:
bonds (distance) C4'-P energy: -63.316
bonds (distance) P-C4' energy: -45.583
flat angles C4'-P-C4' energy: -61.788
flat angles P-C4'-P energy: -35.463
tors. eta vs tors. theta energy: -44.359
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: 10, replica: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -677.473568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.473568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.473568 (E_RNA)
where:
Base-Base interactions energy: -441.049
where: short stacking energy: -186.908
Base-Backbone interact. energy: 3.307
local terms energy: -239.731658
where:
bonds (distance) C4'-P energy: -66.023
bonds (distance) P-C4' energy: -55.143
flat angles C4'-P-C4' energy: -60.922
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -14.638
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: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1458.012866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.012866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.012866 (E_RNA)
where:
Base-Base interactions energy: -1052.199
where: short stacking energy: -425.044
Base-Backbone interact. energy: 0.156
local terms energy: -405.969593
where:
bonds (distance) C4'-P energy: -69.330
bonds (distance) P-C4' energy: -68.722
flat angles C4'-P-C4' energy: -91.164
flat angles P-C4'-P energy: -60.464
tors. eta vs tors. theta energy: -116.290
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: 396
Temperature: 0.950000
Total energy: -1374.991038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.991038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.991038 (E_RNA)
where:
Base-Base interactions energy: -1004.521
where: short stacking energy: -400.352
Base-Backbone interact. energy: -2.484
local terms energy: -367.986512
where:
bonds (distance) C4'-P energy: -70.060
bonds (distance) P-C4' energy: -61.848
flat angles C4'-P-C4' energy: -84.608
flat angles P-C4'-P energy: -47.578
tors. eta vs tors. theta energy: -103.892
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: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1314.625881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.625881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.625881 (E_RNA)
where:
Base-Base interactions energy: -938.108
where: short stacking energy: -394.356
Base-Backbone interact. energy: 1.361
local terms energy: -377.878754
where:
bonds (distance) C4'-P energy: -70.441
bonds (distance) P-C4' energy: -57.497
flat angles C4'-P-C4' energy: -88.142
flat angles P-C4'-P energy: -57.744
tors. eta vs tors. theta energy: -104.056
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: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1280.653683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.653683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.653683 (E_RNA)
where:
Base-Base interactions energy: -904.550
where: short stacking energy: -377.866
Base-Backbone interact. energy: 0.742
local terms energy: -376.846063
where:
bonds (distance) C4'-P energy: -62.591
bonds (distance) P-C4' energy: -79.412
flat angles C4'-P-C4' energy: -78.152
flat angles P-C4'-P energy: -47.957
tors. eta vs tors. theta energy: -108.734
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: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1254.722393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.722393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.722393 (E_RNA)
where:
Base-Base interactions energy: -890.110
where: short stacking energy: -359.120
Base-Backbone interact. energy: -0.979
local terms energy: -363.634071
where:
bonds (distance) C4'-P energy: -65.974
bonds (distance) P-C4' energy: -59.824
flat angles C4'-P-C4' energy: -85.153
flat angles P-C4'-P energy: -55.942
tors. eta vs tors. theta energy: -96.741
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: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1163.840798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.840798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.840798 (E_RNA)
where:
Base-Base interactions energy: -824.433
where: short stacking energy: -329.350
Base-Backbone interact. energy: -2.872
local terms energy: -336.535892
where:
bonds (distance) C4'-P energy: -57.529
bonds (distance) P-C4' energy: -68.305
flat angles C4'-P-C4' energy: -76.226
flat angles P-C4'-P energy: -53.915
tors. eta vs tors. theta energy: -80.560
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: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1078.569567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.569567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.569567 (E_RNA)
where:
Base-Base interactions energy: -774.343
where: short stacking energy: -304.853
Base-Backbone interact. energy: 3.548
local terms energy: -307.774464
where:
bonds (distance) C4'-P energy: -64.176
bonds (distance) P-C4' energy: -71.327
flat angles C4'-P-C4' energy: -73.812
flat angles P-C4'-P energy: -27.110
tors. eta vs tors. theta energy: -71.349
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: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -993.232406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.232406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.232406 (E_RNA)
where:
Base-Base interactions energy: -674.010
where: short stacking energy: -291.983
Base-Backbone interact. energy: 0.215
local terms energy: -319.436906
where:
bonds (distance) C4'-P energy: -75.396
bonds (distance) P-C4' energy: -54.383
flat angles C4'-P-C4' energy: -75.520
flat angles P-C4'-P energy: -39.856
tors. eta vs tors. theta energy: -74.282
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: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -839.657296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.657296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.657296 (E_RNA)
where:
Base-Base interactions energy: -555.785
where: short stacking energy: -253.482
Base-Backbone interact. energy: 0.202
local terms energy: -284.074632
where:
bonds (distance) C4'-P energy: -48.801
bonds (distance) P-C4' energy: -60.990
flat angles C4'-P-C4' energy: -66.860
flat angles P-C4'-P energy: -49.860
tors. eta vs tors. theta energy: -57.563
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: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -643.995365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.995365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.995365 (E_RNA)
where:
Base-Base interactions energy: -402.805
where: short stacking energy: -195.869
Base-Backbone interact. energy: 1.368
local terms energy: -242.558700
where:
bonds (distance) C4'-P energy: -59.285
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -70.706
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -33.375
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: 397
Temperature: 0.900000
Total energy: -1465.862128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.862128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.862128 (E_RNA)
where:
Base-Base interactions energy: -1050.493
where: short stacking energy: -433.955
Base-Backbone interact. energy: -0.972
local terms energy: -414.397108
where:
bonds (distance) C4'-P energy: -79.098
bonds (distance) P-C4' energy: -72.272
flat angles C4'-P-C4' energy: -83.058
flat angles P-C4'-P energy: -57.585
tors. eta vs tors. theta energy: -122.384
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: 2, replica: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1380.993326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.993326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.993326 (E_RNA)
where:
Base-Base interactions energy: -987.444
where: short stacking energy: -400.461
Base-Backbone interact. energy: -0.383
local terms energy: -393.165983
where:
bonds (distance) C4'-P energy: -71.359
bonds (distance) P-C4' energy: -75.635
flat angles C4'-P-C4' energy: -81.621
flat angles P-C4'-P energy: -59.372
tors. eta vs tors. theta energy: -105.179
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: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1317.407426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.407426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.407426 (E_RNA)
where:
Base-Base interactions energy: -915.422
where: short stacking energy: -389.010
Base-Backbone interact. energy: -1.337
local terms energy: -400.648476
where:
bonds (distance) C4'-P energy: -75.796
bonds (distance) P-C4' energy: -77.629
flat angles C4'-P-C4' energy: -79.838
flat angles P-C4'-P energy: -55.215
tors. eta vs tors. theta energy: -112.171
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: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1293.675315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.675315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.675315 (E_RNA)
where:
Base-Base interactions energy: -898.351
where: short stacking energy: -381.500
Base-Backbone interact. energy: -1.969
local terms energy: -393.355495
where:
bonds (distance) C4'-P energy: -65.377
bonds (distance) P-C4' energy: -78.913
flat angles C4'-P-C4' energy: -80.038
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: -112.121
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: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1258.738483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.738483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.738483 (E_RNA)
where:
Base-Base interactions energy: -892.933
where: short stacking energy: -376.470
Base-Backbone interact. energy: -1.969
local terms energy: -363.836868
where:
bonds (distance) C4'-P energy: -68.593
bonds (distance) P-C4' energy: -64.485
flat angles C4'-P-C4' energy: -75.317
flat angles P-C4'-P energy: -45.640
tors. eta vs tors. theta energy: -109.802
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: 397
Temperature: 1.150000
Total energy: -1079.947279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.947279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.947279 (E_RNA)
where:
Base-Base interactions energy: -766.890
where: short stacking energy: -326.084
Base-Backbone interact. energy: -1.217
local terms energy: -311.840596
where:
bonds (distance) C4'-P energy: -57.027
bonds (distance) P-C4' energy: -69.810
flat angles C4'-P-C4' energy: -64.393
flat angles P-C4'-P energy: -40.782
tors. eta vs tors. theta energy: -79.830
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: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1137.343492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.343492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.343492 (E_RNA)
where:
Base-Base interactions energy: -807.583
where: short stacking energy: -322.684
Base-Backbone interact. energy: 1.661
local terms energy: -331.420984
where:
bonds (distance) C4'-P energy: -64.122
bonds (distance) P-C4' energy: -60.878
flat angles C4'-P-C4' energy: -77.651
flat angles P-C4'-P energy: -49.293
tors. eta vs tors. theta energy: -79.477
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: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -975.108407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.108407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.108407 (E_RNA)
where:
Base-Base interactions energy: -667.478
where: short stacking energy: -280.624
Base-Backbone interact. energy: -0.919
local terms energy: -306.710874
where:
bonds (distance) C4'-P energy: -53.194
bonds (distance) P-C4' energy: -74.356
flat angles C4'-P-C4' energy: -68.244
flat angles P-C4'-P energy: -42.357
tors. eta vs tors. theta energy: -68.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -874.382722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.382722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.382722 (E_RNA)
where:
Base-Base interactions energy: -607.331
where: short stacking energy: -237.923
Base-Backbone interact. energy: -0.990
local terms energy: -266.061953
where:
bonds (distance) C4'-P energy: -49.240
bonds (distance) P-C4' energy: -68.615
flat angles C4'-P-C4' energy: -74.665
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -34.741
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: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -620.668056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.668056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.668056 (E_RNA)
where:
Base-Base interactions energy: -382.858
where: short stacking energy: -172.436
Base-Backbone interact. energy: -1.905
local terms energy: -235.905017
where:
bonds (distance) C4'-P energy: -63.099
bonds (distance) P-C4' energy: -59.521
flat angles C4'-P-C4' energy: -60.843
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -19.969
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: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1498.128561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.128561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.128561 (E_RNA)
where:
Base-Base interactions energy: -1070.217
where: short stacking energy: -449.624
Base-Backbone interact. energy: -0.452
local terms energy: -427.459928
where:
bonds (distance) C4'-P energy: -72.232
bonds (distance) P-C4' energy: -77.789
flat angles C4'-P-C4' energy: -95.295
flat angles P-C4'-P energy: -58.887
tors. eta vs tors. theta energy: -123.257
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: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1355.254639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.254639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.254639 (E_RNA)
where:
Base-Base interactions energy: -961.008
where: short stacking energy: -397.307
Base-Backbone interact. energy: -2.266
local terms energy: -391.981404
where:
bonds (distance) C4'-P energy: -66.478
bonds (distance) P-C4' energy: -79.650
flat angles C4'-P-C4' energy: -87.447
flat angles P-C4'-P energy: -58.719
tors. eta vs tors. theta energy: -99.688
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: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1332.529158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.529158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.529158 (E_RNA)
where:
Base-Base interactions energy: -928.744
where: short stacking energy: -388.472
Base-Backbone interact. energy: -1.022
local terms energy: -402.763472
where:
bonds (distance) C4'-P energy: -76.260
bonds (distance) P-C4' energy: -71.939
flat angles C4'-P-C4' energy: -89.097
flat angles P-C4'-P energy: -50.497
tors. eta vs tors. theta energy: -114.971
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: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1278.409994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.409994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.409994 (E_RNA)
where:
Base-Base interactions energy: -904.876
where: short stacking energy: -375.389
Base-Backbone interact. energy: -0.514
local terms energy: -373.020772
where:
bonds (distance) C4'-P energy: -73.942
bonds (distance) P-C4' energy: -61.484
flat angles C4'-P-C4' energy: -82.965
flat angles P-C4'-P energy: -51.173
tors. eta vs tors. theta energy: -103.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1270.998975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.998975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.998975 (E_RNA)
where:
Base-Base interactions energy: -889.227
where: short stacking energy: -367.126
Base-Backbone interact. energy: 1.220
local terms energy: -382.992161
where:
bonds (distance) C4'-P energy: -73.700
bonds (distance) P-C4' energy: -71.101
flat angles C4'-P-C4' energy: -76.375
flat angles P-C4'-P energy: -51.607
tors. eta vs tors. theta energy: -110.208
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: 398
Temperature: 1.150000
Total energy: -1116.851376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.851376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.851376 (E_RNA)
where:
Base-Base interactions energy: -777.172
where: short stacking energy: -320.142
Base-Backbone interact. energy: -2.731
local terms energy: -336.948787
where:
bonds (distance) C4'-P energy: -71.131
bonds (distance) P-C4' energy: -73.691
flat angles C4'-P-C4' energy: -72.226
flat angles P-C4'-P energy: -40.766
tors. eta vs tors. theta energy: -79.135
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: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1146.215600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.215600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.215600 (E_RNA)
where:
Base-Base interactions energy: -829.481
where: short stacking energy: -326.398
Base-Backbone interact. energy: -0.986
local terms energy: -315.748199
where:
bonds (distance) C4'-P energy: -70.877
bonds (distance) P-C4' energy: -58.145
flat angles C4'-P-C4' energy: -68.815
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: -82.614
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: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -981.466089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.466089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.466089 (E_RNA)
where:
Base-Base interactions energy: -688.585
where: short stacking energy: -274.957
Base-Backbone interact. energy: -1.595
local terms energy: -291.285480
where:
bonds (distance) C4'-P energy: -66.703
bonds (distance) P-C4' energy: -63.558
flat angles C4'-P-C4' energy: -59.488
flat angles P-C4'-P energy: -30.669
tors. eta vs tors. theta energy: -70.868
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: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -945.947409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.947409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.947409 (E_RNA)
where:
Base-Base interactions energy: -663.274
where: short stacking energy: -281.292
Base-Backbone interact. energy: -0.655
local terms energy: -282.018790
where:
bonds (distance) C4'-P energy: -61.086
bonds (distance) P-C4' energy: -50.363
flat angles C4'-P-C4' energy: -54.728
flat angles P-C4'-P energy: -48.928
tors. eta vs tors. theta energy: -66.914
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: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -638.473326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.473326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.473326 (E_RNA)
where:
Base-Base interactions energy: -387.099
where: short stacking energy: -195.717
Base-Backbone interact. energy: -1.981
local terms energy: -249.392818
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -66.090
flat angles C4'-P-C4' energy: -58.740
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: -49.175
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: 399
Temperature: 0.900000
Total energy: -1467.719609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.719609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.719609 (E_RNA)
where:
Base-Base interactions energy: -1052.166
where: short stacking energy: -435.318
Base-Backbone interact. energy: 0.232
local terms energy: -415.785605
where:
bonds (distance) C4'-P energy: -68.208
bonds (distance) P-C4' energy: -82.505
flat angles C4'-P-C4' energy: -83.259
flat angles P-C4'-P energy: -63.315
tors. eta vs tors. theta energy: -118.499
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: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1355.930173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.930173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.930173 (E_RNA)
where:
Base-Base interactions energy: -966.335
where: short stacking energy: -423.838
Base-Backbone interact. energy: -1.321
local terms energy: -388.274340
where:
bonds (distance) C4'-P energy: -62.564
bonds (distance) P-C4' energy: -68.159
flat angles C4'-P-C4' energy: -87.680
flat angles P-C4'-P energy: -52.880
tors. eta vs tors. theta energy: -116.991
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: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1356.970842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.970842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.970842 (E_RNA)
where:
Base-Base interactions energy: -988.120
where: short stacking energy: -394.343
Base-Backbone interact. energy: 1.283
local terms energy: -370.133735
where:
bonds (distance) C4'-P energy: -62.603
bonds (distance) P-C4' energy: -73.373
flat angles C4'-P-C4' energy: -80.913
flat angles P-C4'-P energy: -52.821
tors. eta vs tors. theta energy: -100.425
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: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1286.285293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.285293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.285293 (E_RNA)
where:
Base-Base interactions energy: -916.825
where: short stacking energy: -381.513
Base-Backbone interact. energy: -0.404
local terms energy: -369.056317
where:
bonds (distance) C4'-P energy: -60.975
bonds (distance) P-C4' energy: -70.831
flat angles C4'-P-C4' energy: -77.799
flat angles P-C4'-P energy: -44.127
tors. eta vs tors. theta energy: -115.324
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: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1242.190399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.190399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.190399 (E_RNA)
where:
Base-Base interactions energy: -881.791
where: short stacking energy: -360.936
Base-Backbone interact. energy: -0.580
local terms energy: -359.819486
where:
bonds (distance) C4'-P energy: -56.235
bonds (distance) P-C4' energy: -64.048
flat angles C4'-P-C4' energy: -84.555
flat angles P-C4'-P energy: -50.712
tors. eta vs tors. theta energy: -104.269
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: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1162.148786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.148786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.148786 (E_RNA)
where:
Base-Base interactions energy: -839.959
where: short stacking energy: -332.826
Base-Backbone interact. energy: -1.442
local terms energy: -320.747552
where:
bonds (distance) C4'-P energy: -75.240
bonds (distance) P-C4' energy: -54.128
flat angles C4'-P-C4' energy: -72.085
flat angles P-C4'-P energy: -40.324
tors. eta vs tors. theta energy: -78.971
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: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1070.841780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.841780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.841780 (E_RNA)
where:
Base-Base interactions energy: -750.018
where: short stacking energy: -305.463
Base-Backbone interact. energy: -1.168
local terms energy: -319.654874
where:
bonds (distance) C4'-P energy: -54.373
bonds (distance) P-C4' energy: -58.936
flat angles C4'-P-C4' energy: -72.539
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: -81.524
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: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -996.757605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.757605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.757605 (E_RNA)
where:
Base-Base interactions energy: -683.840
where: short stacking energy: -298.435
Base-Backbone interact. energy: -1.215
local terms energy: -311.702718
where:
bonds (distance) C4'-P energy: -58.625
bonds (distance) P-C4' energy: -63.124
flat angles C4'-P-C4' energy: -69.087
flat angles P-C4'-P energy: -44.874
tors. eta vs tors. theta energy: -75.992
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: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -924.684889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.684889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.684889 (E_RNA)
where:
Base-Base interactions energy: -622.633
where: short stacking energy: -269.769
Base-Backbone interact. energy: 0.178
local terms energy: -302.229461
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -72.958
flat angles C4'-P-C4' energy: -68.196
flat angles P-C4'-P energy: -44.880
tors. eta vs tors. theta energy: -72.427
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: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -628.238539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.238539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.238539 (E_RNA)
where:
Base-Base interactions energy: -408.227
where: short stacking energy: -193.452
Base-Backbone interact. energy: -1.277
local terms energy: -218.734105
where:
bonds (distance) C4'-P energy: -52.574
bonds (distance) P-C4' energy: -48.044
flat angles C4'-P-C4' energy: -45.200
flat angles P-C4'-P energy: -38.102
tors. eta vs tors. theta energy: -34.814
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: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1461.688119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.688119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.688119 (E_RNA)
where:
Base-Base interactions energy: -1050.420
where: short stacking energy: -434.821
Base-Backbone interact. energy: -2.360
local terms energy: -408.908302
where:
bonds (distance) C4'-P energy: -69.334
bonds (distance) P-C4' energy: -77.656
flat angles C4'-P-C4' energy: -87.112
flat angles P-C4'-P energy: -53.407
tors. eta vs tors. theta energy: -121.400
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: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1365.548722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.548722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.548722 (E_RNA)
where:
Base-Base interactions energy: -958.734
where: short stacking energy: -410.753
Base-Backbone interact. energy: 1.628
local terms energy: -408.442698
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -73.281
flat angles C4'-P-C4' energy: -87.099
flat angles P-C4'-P energy: -63.237
tors. eta vs tors. theta energy: -112.180
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: 400
Temperature: 1.000000
Total energy: -1336.980535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.980535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.980535 (E_RNA)
where:
Base-Base interactions energy: -938.423
where: short stacking energy: -376.391
Base-Backbone interact. energy: -1.393
local terms energy: -397.164876
where:
bonds (distance) C4'-P energy: -72.968
bonds (distance) P-C4' energy: -79.346
flat angles C4'-P-C4' energy: -81.798
flat angles P-C4'-P energy: -56.483
tors. eta vs tors. theta energy: -106.570
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: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1303.663975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.663975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.663975 (E_RNA)
where:
Base-Base interactions energy: -913.546
where: short stacking energy: -380.681
Base-Backbone interact. energy: -1.910
local terms energy: -388.208537
where:
bonds (distance) C4'-P energy: -77.679
bonds (distance) P-C4' energy: -68.121
flat angles C4'-P-C4' energy: -74.022
flat angles P-C4'-P energy: -48.323
tors. eta vs tors. theta energy: -120.064
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: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1238.248497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.248497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.248497 (E_RNA)
where:
Base-Base interactions energy: -873.103
where: short stacking energy: -366.231
Base-Backbone interact. energy: -0.473
local terms energy: -364.672489
where:
bonds (distance) C4'-P energy: -61.839
bonds (distance) P-C4' energy: -71.847
flat angles C4'-P-C4' energy: -71.486
flat angles P-C4'-P energy: -52.335
tors. eta vs tors. theta energy: -107.165
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: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1196.570236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.570236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.570236 (E_RNA)
where:
Base-Base interactions energy: -877.029
where: short stacking energy: -369.061
Base-Backbone interact. energy: -1.727
local terms energy: -317.813964
where:
bonds (distance) C4'-P energy: -52.400
bonds (distance) P-C4' energy: -55.296
flat angles C4'-P-C4' energy: -72.445
flat angles P-C4'-P energy: -48.096
tors. eta vs tors. theta energy: -89.577
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: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1077.146142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.146142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.146142 (E_RNA)
where:
Base-Base interactions energy: -753.875
where: short stacking energy: -325.246
Base-Backbone interact. energy: -1.027
local terms energy: -322.244375
where:
bonds (distance) C4'-P energy: -60.056
bonds (distance) P-C4' energy: -59.151
flat angles C4'-P-C4' energy: -72.942
flat angles P-C4'-P energy: -37.207
tors. eta vs tors. theta energy: -92.887
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: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -994.433106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.433106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.433106 (E_RNA)
where:
Base-Base interactions energy: -681.861
where: short stacking energy: -291.828
Base-Backbone interact. energy: -0.947
local terms energy: -311.624885
where:
bonds (distance) C4'-P energy: -64.615
bonds (distance) P-C4' energy: -55.528
flat angles C4'-P-C4' energy: -79.269
flat angles P-C4'-P energy: -39.406
tors. eta vs tors. theta energy: -72.807
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: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -935.719127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.719127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.719127 (E_RNA)
where:
Base-Base interactions energy: -660.311
where: short stacking energy: -282.275
Base-Backbone interact. energy: 0.550
local terms energy: -275.957812
where:
bonds (distance) C4'-P energy: -62.855
bonds (distance) P-C4' energy: -55.453
flat angles C4'-P-C4' energy: -52.359
flat angles P-C4'-P energy: -40.273
tors. eta vs tors. theta energy: -65.018
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: 10, replica: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -662.478191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.478191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.478191 (E_RNA)
where:
Base-Base interactions energy: -397.603
where: short stacking energy: -163.561
Base-Backbone interact. energy: -1.568
local terms energy: -263.307826
where:
bonds (distance) C4'-P energy: -62.919
bonds (distance) P-C4' energy: -67.295
flat angles C4'-P-C4' energy: -69.073
flat angles P-C4'-P energy: -43.415
tors. eta vs tors. theta energy: -20.605
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: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1481.697997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.697997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.697997 (E_RNA)
where:
Base-Base interactions energy: -1060.495
where: short stacking energy: -435.476
Base-Backbone interact. energy: -1.163
local terms energy: -420.040770
where:
bonds (distance) C4'-P energy: -74.622
bonds (distance) P-C4' energy: -75.685
flat angles C4'-P-C4' energy: -89.285
flat angles P-C4'-P energy: -53.978
tors. eta vs tors. theta energy: -126.472
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: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1352.108938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.108938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.108938 (E_RNA)
where:
Base-Base interactions energy: -950.820
where: short stacking energy: -407.383
Base-Backbone interact. energy: 1.751
local terms energy: -403.040187
where:
bonds (distance) C4'-P energy: -67.674
bonds (distance) P-C4' energy: -74.773
flat angles C4'-P-C4' energy: -86.816
flat angles P-C4'-P energy: -59.016
tors. eta vs tors. theta energy: -114.761
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: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1334.650967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.650967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.650967 (E_RNA)
where:
Base-Base interactions energy: -963.069
where: short stacking energy: -381.602
Base-Backbone interact. energy: -3.942
local terms energy: -367.640239
where:
bonds (distance) C4'-P energy: -57.369
bonds (distance) P-C4' energy: -71.717
flat angles C4'-P-C4' energy: -81.872
flat angles P-C4'-P energy: -52.800
tors. eta vs tors. theta energy: -103.883
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: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1275.810208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.810208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.810208 (E_RNA)
where:
Base-Base interactions energy: -887.631
where: short stacking energy: -368.103
Base-Backbone interact. energy: -1.664
local terms energy: -386.515683
where:
bonds (distance) C4'-P energy: -74.286
bonds (distance) P-C4' energy: -76.386
flat angles C4'-P-C4' energy: -84.363
flat angles P-C4'-P energy: -49.230
tors. eta vs tors. theta energy: -102.251
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1249.714075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.714075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.714075 (E_RNA)
where:
Base-Base interactions energy: -909.091
where: short stacking energy: -372.313
Base-Backbone interact. energy: 0.914
local terms energy: -341.537027
where:
bonds (distance) C4'-P energy: -62.059
bonds (distance) P-C4' energy: -68.788
flat angles C4'-P-C4' energy: -72.309
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -100.999
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: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1176.130446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.130446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.130446 (E_RNA)
where:
Base-Base interactions energy: -826.865
where: short stacking energy: -349.760
Base-Backbone interact. energy: -0.634
local terms energy: -348.631664
where:
bonds (distance) C4'-P energy: -60.031
bonds (distance) P-C4' energy: -59.337
flat angles C4'-P-C4' energy: -80.537
flat angles P-C4'-P energy: -52.206
tors. eta vs tors. theta energy: -96.519
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: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1063.455852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.455852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.455852 (E_RNA)
where:
Base-Base interactions energy: -754.503
where: short stacking energy: -327.542
Base-Backbone interact. energy: -1.583
local terms energy: -307.369429
where:
bonds (distance) C4'-P energy: -53.214
bonds (distance) P-C4' energy: -60.512
flat angles C4'-P-C4' energy: -65.804
flat angles P-C4'-P energy: -45.300
tors. eta vs tors. theta energy: -82.540
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: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1009.779649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.779649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.779649 (E_RNA)
where:
Base-Base interactions energy: -702.725
where: short stacking energy: -300.660
Base-Backbone interact. energy: -0.385
local terms energy: -306.669309
where:
bonds (distance) C4'-P energy: -64.242
bonds (distance) P-C4' energy: -58.104
flat angles C4'-P-C4' energy: -70.202
flat angles P-C4'-P energy: -45.337
tors. eta vs tors. theta energy: -68.784
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: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -915.528684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.528684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.528684 (E_RNA)
where:
Base-Base interactions energy: -635.624
where: short stacking energy: -265.568
Base-Backbone interact. energy: -0.068
local terms energy: -279.836110
where:
bonds (distance) C4'-P energy: -47.170
bonds (distance) P-C4' energy: -63.488
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -48.451
tors. eta vs tors. theta energy: -64.120
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: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -576.975432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.975432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.975432 (E_RNA)
where:
Base-Base interactions energy: -352.115
where: short stacking energy: -154.492
Base-Backbone interact. energy: 1.439
local terms energy: -226.299349
where:
bonds (distance) C4'-P energy: -53.092
bonds (distance) P-C4' energy: -47.155
flat angles C4'-P-C4' energy: -54.027
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -24.983
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: 402
Temperature: 0.900000
Total energy: -1477.929812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.929812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.929812 (E_RNA)
where:
Base-Base interactions energy: -1055.604
where: short stacking energy: -442.045
Base-Backbone interact. energy: -1.283
local terms energy: -421.043094
where:
bonds (distance) C4'-P energy: -76.512
bonds (distance) P-C4' energy: -80.100
flat angles C4'-P-C4' energy: -91.592
flat angles P-C4'-P energy: -50.330
tors. eta vs tors. theta energy: -122.509
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: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1358.032097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.032097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.032097 (E_RNA)
where:
Base-Base interactions energy: -976.786
where: short stacking energy: -408.693
Base-Backbone interact. energy: -0.914
local terms energy: -380.332425
where:
bonds (distance) C4'-P energy: -71.642
bonds (distance) P-C4' energy: -67.895
flat angles C4'-P-C4' energy: -79.121
flat angles P-C4'-P energy: -44.668
tors. eta vs tors. theta energy: -117.007
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: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1357.982636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.982636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.982636 (E_RNA)
where:
Base-Base interactions energy: -975.412
where: short stacking energy: -401.703
Base-Backbone interact. energy: 0.413
local terms energy: -382.982789
where:
bonds (distance) C4'-P energy: -75.561
bonds (distance) P-C4' energy: -64.607
flat angles C4'-P-C4' energy: -74.542
flat angles P-C4'-P energy: -58.017
tors. eta vs tors. theta energy: -110.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1260.625193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.625193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.625193 (E_RNA)
where:
Base-Base interactions energy: -877.967
where: short stacking energy: -361.639
Base-Backbone interact. energy: -2.178
local terms energy: -380.480656
where:
bonds (distance) C4'-P energy: -71.624
bonds (distance) P-C4' energy: -74.380
flat angles C4'-P-C4' energy: -86.819
flat angles P-C4'-P energy: -44.865
tors. eta vs tors. theta energy: -102.792
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: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1261.955256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.955256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.955256 (E_RNA)
where:
Base-Base interactions energy: -883.645
where: short stacking energy: -359.704
Base-Backbone interact. energy: -0.597
local terms energy: -377.713603
where:
bonds (distance) C4'-P energy: -70.811
bonds (distance) P-C4' energy: -77.359
flat angles C4'-P-C4' energy: -76.077
flat angles P-C4'-P energy: -52.367
tors. eta vs tors. theta energy: -101.099
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: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1153.900298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.900298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.900298 (E_RNA)
where:
Base-Base interactions energy: -815.860
where: short stacking energy: -343.717
Base-Backbone interact. energy: -0.371
local terms energy: -337.669523
where:
bonds (distance) C4'-P energy: -65.987
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -75.026
flat angles P-C4'-P energy: -51.641
tors. eta vs tors. theta energy: -86.486
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: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1026.229690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.229690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.229690 (E_RNA)
where:
Base-Base interactions energy: -696.590
where: short stacking energy: -308.971
Base-Backbone interact. energy: -1.466
local terms energy: -328.174180
where:
bonds (distance) C4'-P energy: -58.857
bonds (distance) P-C4' energy: -68.741
flat angles C4'-P-C4' energy: -68.051
flat angles P-C4'-P energy: -48.426
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: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1052.659164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.659164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.659164 (E_RNA)
where:
Base-Base interactions energy: -727.886
where: short stacking energy: -307.018
Base-Backbone interact. energy: -1.862
local terms energy: -322.911121
where:
bonds (distance) C4'-P energy: -53.716
bonds (distance) P-C4' energy: -64.767
flat angles C4'-P-C4' energy: -70.097
flat angles P-C4'-P energy: -48.526
tors. eta vs tors. theta energy: -85.805
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: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -893.072189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.072189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.072189 (E_RNA)
where:
Base-Base interactions energy: -607.458
where: short stacking energy: -232.206
Base-Backbone interact. energy: -1.551
local terms energy: -284.063948
where:
bonds (distance) C4'-P energy: -57.641
bonds (distance) P-C4' energy: -62.408
flat angles C4'-P-C4' energy: -66.684
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -53.635
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: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -622.897894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.897894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.897894 (E_RNA)
where:
Base-Base interactions energy: -398.304
where: short stacking energy: -185.553
Base-Backbone interact. energy: 3.037
local terms energy: -227.630544
where:
bonds (distance) C4'-P energy: -57.026
bonds (distance) P-C4' energy: -70.682
flat angles C4'-P-C4' energy: -42.036
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -30.505
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: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1485.740043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.740043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.740043 (E_RNA)
where:
Base-Base interactions energy: -1060.506
where: short stacking energy: -443.851
Base-Backbone interact. energy: -0.384
local terms energy: -424.849223
where:
bonds (distance) C4'-P energy: -67.274
bonds (distance) P-C4' energy: -76.106
flat angles C4'-P-C4' energy: -92.584
flat angles P-C4'-P energy: -60.414
tors. eta vs tors. theta energy: -128.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1358.287856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.287856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.287856 (E_RNA)
where:
Base-Base interactions energy: -950.914
where: short stacking energy: -405.327
Base-Backbone interact. energy: -1.210
local terms energy: -406.163452
where:
bonds (distance) C4'-P energy: -77.151
bonds (distance) P-C4' energy: -63.030
flat angles C4'-P-C4' energy: -90.233
flat angles P-C4'-P energy: -57.507
tors. eta vs tors. theta energy: -118.242
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: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1337.154066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.154066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.154066 (E_RNA)
where:
Base-Base interactions energy: -965.236
where: short stacking energy: -394.259
Base-Backbone interact. energy: 1.700
local terms energy: -373.618704
where:
bonds (distance) C4'-P energy: -77.697
bonds (distance) P-C4' energy: -56.141
flat angles C4'-P-C4' energy: -82.172
flat angles P-C4'-P energy: -54.521
tors. eta vs tors. theta energy: -103.087
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: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1274.296728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.296728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.296728 (E_RNA)
where:
Base-Base interactions energy: -882.772
where: short stacking energy: -378.631
Base-Backbone interact. energy: -0.608
local terms energy: -390.916673
where:
bonds (distance) C4'-P energy: -57.383
bonds (distance) P-C4' energy: -66.256
flat angles C4'-P-C4' energy: -83.525
flat angles P-C4'-P energy: -66.924
tors. eta vs tors. theta energy: -116.828
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: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1241.529529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.529529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.529529 (E_RNA)
where:
Base-Base interactions energy: -873.041
where: short stacking energy: -364.321
Base-Backbone interact. energy: -0.397
local terms energy: -368.091778
where:
bonds (distance) C4'-P energy: -73.578
bonds (distance) P-C4' energy: -64.549
flat angles C4'-P-C4' energy: -74.697
flat angles P-C4'-P energy: -44.255
tors. eta vs tors. theta energy: -111.013
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: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1190.094343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.094343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.094343 (E_RNA)
where:
Base-Base interactions energy: -860.921
where: short stacking energy: -371.780
Base-Backbone interact. energy: -1.834
local terms energy: -327.338590
where:
bonds (distance) C4'-P energy: -58.025
bonds (distance) P-C4' energy: -53.087
flat angles C4'-P-C4' energy: -72.680
flat angles P-C4'-P energy: -50.195
tors. eta vs tors. theta energy: -93.351
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: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1023.122414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.122414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.122414 (E_RNA)
where:
Base-Base interactions energy: -719.520
where: short stacking energy: -303.761
Base-Backbone interact. energy: -0.792
local terms energy: -302.809656
where:
bonds (distance) C4'-P energy: -49.238
bonds (distance) P-C4' energy: -62.225
flat angles C4'-P-C4' energy: -70.813
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -75.720
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: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -978.077378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.077378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.077378 (E_RNA)
where:
Base-Base interactions energy: -676.797
where: short stacking energy: -262.998
Base-Backbone interact. energy: -1.448
local terms energy: -299.832019
where:
bonds (distance) C4'-P energy: -68.413
bonds (distance) P-C4' energy: -58.137
flat angles C4'-P-C4' energy: -69.287
flat angles P-C4'-P energy: -43.496
tors. eta vs tors. theta energy: -60.499
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: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -873.721169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.721169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.721169 (E_RNA)
where:
Base-Base interactions energy: -625.339
where: short stacking energy: -248.399
Base-Backbone interact. energy: -0.047
local terms energy: -248.335637
where:
bonds (distance) C4'-P energy: -51.158
bonds (distance) P-C4' energy: -59.959
flat angles C4'-P-C4' energy: -55.454
flat angles P-C4'-P energy: -31.164
tors. eta vs tors. theta energy: -50.600
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: 10, replica: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -625.158120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.158120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.158120 (E_RNA)
where:
Base-Base interactions energy: -384.432
where: short stacking energy: -185.710
Base-Backbone interact. energy: 1.130
local terms energy: -241.856161
where:
bonds (distance) C4'-P energy: -67.567
bonds (distance) P-C4' energy: -69.324
flat angles C4'-P-C4' energy: -57.655
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1468.538763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.538763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.538763 (E_RNA)
where:
Base-Base interactions energy: -1063.577
where: short stacking energy: -429.389
Base-Backbone interact. energy: -1.337
local terms energy: -403.624578
where:
bonds (distance) C4'-P energy: -74.022
bonds (distance) P-C4' energy: -69.071
flat angles C4'-P-C4' energy: -83.596
flat angles P-C4'-P energy: -53.666
tors. eta vs tors. theta energy: -123.270
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: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1352.837634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.837634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.837634 (E_RNA)
where:
Base-Base interactions energy: -951.549
where: short stacking energy: -389.202
Base-Backbone interact. energy: -0.324
local terms energy: -400.964969
where:
bonds (distance) C4'-P energy: -63.903
bonds (distance) P-C4' energy: -82.306
flat angles C4'-P-C4' energy: -86.002
flat angles P-C4'-P energy: -51.713
tors. eta vs tors. theta energy: -117.041
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: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1336.628442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.628442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.628442 (E_RNA)
where:
Base-Base interactions energy: -951.506
where: short stacking energy: -398.665
Base-Backbone interact. energy: 0.836
local terms energy: -385.957673
where:
bonds (distance) C4'-P energy: -64.507
bonds (distance) P-C4' energy: -76.580
flat angles C4'-P-C4' energy: -85.876
flat angles P-C4'-P energy: -53.445
tors. eta vs tors. theta energy: -105.549
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: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1282.019770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.019770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.019770 (E_RNA)
where:
Base-Base interactions energy: -913.243
where: short stacking energy: -401.194
Base-Backbone interact. energy: -0.783
local terms energy: -367.993923
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -71.271
flat angles C4'-P-C4' energy: -80.730
flat angles P-C4'-P energy: -50.652
tors. eta vs tors. theta energy: -109.114
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: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1239.167644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.167644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.167644 (E_RNA)
where:
Base-Base interactions energy: -885.182
where: short stacking energy: -363.236
Base-Backbone interact. energy: 1.955
local terms energy: -355.940210
where:
bonds (distance) C4'-P energy: -61.078
bonds (distance) P-C4' energy: -72.339
flat angles C4'-P-C4' energy: -74.351
flat angles P-C4'-P energy: -48.187
tors. eta vs tors. theta energy: -99.985
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: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1188.875926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.875926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.875926 (E_RNA)
where:
Base-Base interactions energy: -844.130
where: short stacking energy: -362.617
Base-Backbone interact. energy: -0.422
local terms energy: -344.324103
where:
bonds (distance) C4'-P energy: -46.630
bonds (distance) P-C4' energy: -70.823
flat angles C4'-P-C4' energy: -78.192
flat angles P-C4'-P energy: -51.877
tors. eta vs tors. theta energy: -96.801
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: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1013.039481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.039481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.039481 (E_RNA)
where:
Base-Base interactions energy: -704.387
where: short stacking energy: -294.403
Base-Backbone interact. energy: -0.614
local terms energy: -308.038557
where:
bonds (distance) C4'-P energy: -64.787
bonds (distance) P-C4' energy: -55.957
flat angles C4'-P-C4' energy: -71.354
flat angles P-C4'-P energy: -51.393
tors. eta vs tors. theta energy: -64.548
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: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1002.700817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.700817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.700817 (E_RNA)
where:
Base-Base interactions energy: -681.703
where: short stacking energy: -300.727
Base-Backbone interact. energy: -0.389
local terms energy: -320.608425
where:
bonds (distance) C4'-P energy: -61.593
bonds (distance) P-C4' energy: -60.859
flat angles C4'-P-C4' energy: -71.227
flat angles P-C4'-P energy: -49.754
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: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -907.562538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.562538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.562538 (E_RNA)
where:
Base-Base interactions energy: -610.282
where: short stacking energy: -266.056
Base-Backbone interact. energy: 0.408
local terms energy: -297.688544
where:
bonds (distance) C4'-P energy: -59.565
bonds (distance) P-C4' energy: -66.349
flat angles C4'-P-C4' energy: -67.590
flat angles P-C4'-P energy: -37.054
tors. eta vs tors. theta energy: -67.130
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: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -592.225162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.225162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.225162 (E_RNA)
where:
Base-Base interactions energy: -356.384
where: short stacking energy: -162.447
Base-Backbone interact. energy: -0.845
local terms energy: -234.996467
where:
bonds (distance) C4'-P energy: -66.561
bonds (distance) P-C4' energy: -68.104
flat angles C4'-P-C4' energy: -66.254
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -13.958
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: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1470.935492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.935492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.935492 (E_RNA)
where:
Base-Base interactions energy: -1063.438
where: short stacking energy: -436.396
Base-Backbone interact. energy: -1.595
local terms energy: -405.902826
where:
bonds (distance) C4'-P energy: -73.736
bonds (distance) P-C4' energy: -66.841
flat angles C4'-P-C4' energy: -91.561
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -118.600
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: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1344.807698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.807698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.807698 (E_RNA)
where:
Base-Base interactions energy: -966.750
where: short stacking energy: -388.429
Base-Backbone interact. energy: -3.514
local terms energy: -374.544350
where:
bonds (distance) C4'-P energy: -70.597
bonds (distance) P-C4' energy: -65.746
flat angles C4'-P-C4' energy: -79.368
flat angles P-C4'-P energy: -54.030
tors. eta vs tors. theta energy: -104.803
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: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1310.210881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.210881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.210881 (E_RNA)
where:
Base-Base interactions energy: -940.060
where: short stacking energy: -376.477
Base-Backbone interact. energy: -0.790
local terms energy: -369.360878
where:
bonds (distance) C4'-P energy: -70.555
bonds (distance) P-C4' energy: -67.123
flat angles C4'-P-C4' energy: -81.654
flat angles P-C4'-P energy: -56.975
tors. eta vs tors. theta energy: -93.055
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: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1290.115186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.115186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.115186 (E_RNA)
where:
Base-Base interactions energy: -879.103
where: short stacking energy: -380.521
Base-Backbone interact. energy: 1.143
local terms energy: -412.155523
where:
bonds (distance) C4'-P energy: -74.753
bonds (distance) P-C4' energy: -80.703
flat angles C4'-P-C4' energy: -85.219
flat angles P-C4'-P energy: -59.912
tors. eta vs tors. theta energy: -111.568
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: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1210.930307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.930307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.930307 (E_RNA)
where:
Base-Base interactions energy: -841.133
where: short stacking energy: -359.378
Base-Backbone interact. energy: -0.397
local terms energy: -369.399565
where:
bonds (distance) C4'-P energy: -65.772
bonds (distance) P-C4' energy: -70.730
flat angles C4'-P-C4' energy: -79.717
flat angles P-C4'-P energy: -48.974
tors. eta vs tors. theta energy: -104.207
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: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1173.987970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.987970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.987970 (E_RNA)
where:
Base-Base interactions energy: -822.232
where: short stacking energy: -322.649
Base-Backbone interact. energy: -1.297
local terms energy: -350.458850
where:
bonds (distance) C4'-P energy: -77.631
bonds (distance) P-C4' energy: -63.715
flat angles C4'-P-C4' energy: -71.706
flat angles P-C4'-P energy: -46.160
tors. eta vs tors. theta energy: -91.248
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: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1005.533680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.533680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.533680 (E_RNA)
where:
Base-Base interactions energy: -699.385
where: short stacking energy: -292.314
Base-Backbone interact. energy: 0.088
local terms energy: -306.236151
where:
bonds (distance) C4'-P energy: -53.688
bonds (distance) P-C4' energy: -64.514
flat angles C4'-P-C4' energy: -67.967
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -76.521
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: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1016.698005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.698005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.698005 (E_RNA)
where:
Base-Base interactions energy: -707.987
where: short stacking energy: -301.929
Base-Backbone interact. energy: -0.574
local terms energy: -308.136043
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -75.086
flat angles C4'-P-C4' energy: -70.940
flat angles P-C4'-P energy: -36.462
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: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -933.382131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.382131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.382131 (E_RNA)
where:
Base-Base interactions energy: -642.247
where: short stacking energy: -259.767
Base-Backbone interact. energy: -1.121
local terms energy: -290.014051
where:
bonds (distance) C4'-P energy: -62.174
bonds (distance) P-C4' energy: -65.494
flat angles C4'-P-C4' energy: -62.500
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -59.903
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: 10, replica: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -640.183082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.183082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.183082 (E_RNA)
where:
Base-Base interactions energy: -417.614
where: short stacking energy: -191.592
Base-Backbone interact. energy: 4.854
local terms energy: -227.423604
where:
bonds (distance) C4'-P energy: -60.862
bonds (distance) P-C4' energy: -56.006
flat angles C4'-P-C4' energy: -50.014
flat angles P-C4'-P energy: -28.648
tors. eta vs tors. theta energy: -31.894
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: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1459.105458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.105458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.105458 (E_RNA)
where:
Base-Base interactions energy: -1032.108
where: short stacking energy: -418.148
Base-Backbone interact. energy: 0.715
local terms energy: -427.712501
where:
bonds (distance) C4'-P energy: -72.834
bonds (distance) P-C4' energy: -79.415
flat angles C4'-P-C4' energy: -84.113
flat angles P-C4'-P energy: -70.048
tors. eta vs tors. theta energy: -121.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1332.135404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.135404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.135404 (E_RNA)
where:
Base-Base interactions energy: -927.926
where: short stacking energy: -390.749
Base-Backbone interact. energy: -1.572
local terms energy: -402.637953
where:
bonds (distance) C4'-P energy: -62.305
bonds (distance) P-C4' energy: -72.952
flat angles C4'-P-C4' energy: -89.394
flat angles P-C4'-P energy: -64.190
tors. eta vs tors. theta energy: -113.798
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: 3, replica: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1297.373986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.373986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.373986 (E_RNA)
where:
Base-Base interactions energy: -922.823
where: short stacking energy: -382.365
Base-Backbone interact. energy: -1.925
local terms energy: -372.625974
where:
bonds (distance) C4'-P energy: -67.570
bonds (distance) P-C4' energy: -65.787
flat angles C4'-P-C4' energy: -74.573
flat angles P-C4'-P energy: -53.852
tors. eta vs tors. theta energy: -110.843
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: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1296.267192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.267192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.267192 (E_RNA)
where:
Base-Base interactions energy: -938.885
where: short stacking energy: -358.679
Base-Backbone interact. energy: -1.073
local terms energy: -356.309490
where:
bonds (distance) C4'-P energy: -63.727
bonds (distance) P-C4' energy: -69.519
flat angles C4'-P-C4' energy: -78.417
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -98.293
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: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1247.263197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.263197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.263197 (E_RNA)
where:
Base-Base interactions energy: -876.623
where: short stacking energy: -362.206
Base-Backbone interact. energy: -0.380
local terms energy: -370.259939
where:
bonds (distance) C4'-P energy: -67.065
bonds (distance) P-C4' energy: -78.281
flat angles C4'-P-C4' energy: -81.679
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -100.216
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: 406
Temperature: 1.150000
Total energy: -1186.079505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.079505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.079505 (E_RNA)
where:
Base-Base interactions energy: -839.091
where: short stacking energy: -344.852
Base-Backbone interact. energy: -0.670
local terms energy: -346.317532
where:
bonds (distance) C4'-P energy: -64.867
bonds (distance) P-C4' energy: -60.958
flat angles C4'-P-C4' energy: -78.977
flat angles P-C4'-P energy: -47.876
tors. eta vs tors. theta energy: -93.640
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: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1055.442610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.442610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.442610 (E_RNA)
where:
Base-Base interactions energy: -734.076
where: short stacking energy: -303.074
Base-Backbone interact. energy: -0.014
local terms energy: -321.352499
where:
bonds (distance) C4'-P energy: -61.531
bonds (distance) P-C4' energy: -55.240
flat angles C4'-P-C4' energy: -65.823
flat angles P-C4'-P energy: -51.458
tors. eta vs tors. theta energy: -87.300
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: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -997.342784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.342784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.342784 (E_RNA)
where:
Base-Base interactions energy: -695.065
where: short stacking energy: -300.619
Base-Backbone interact. energy: -0.880
local terms energy: -301.398580
where:
bonds (distance) C4'-P energy: -50.962
bonds (distance) P-C4' energy: -68.276
flat angles C4'-P-C4' energy: -75.827
flat angles P-C4'-P energy: -37.175
tors. eta vs tors. theta energy: -69.159
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: 406
Temperature: 1.300000
Total energy: -875.081094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.081094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.081094 (E_RNA)
where:
Base-Base interactions energy: -565.325
where: short stacking energy: -268.024
Base-Backbone interact. energy: 0.324
local terms energy: -310.080386
where:
bonds (distance) C4'-P energy: -65.047
bonds (distance) P-C4' energy: -66.684
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -67.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -668.734896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.734896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.734896 (E_RNA)
where:
Base-Base interactions energy: -436.060
where: short stacking energy: -199.969
Base-Backbone interact. energy: -1.407
local terms energy: -231.268166
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -60.616
flat angles C4'-P-C4' energy: -51.053
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -30.978
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: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1466.494075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.494075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.494075 (E_RNA)
where:
Base-Base interactions energy: -1045.220
where: short stacking energy: -423.631
Base-Backbone interact. energy: -1.815
local terms energy: -419.459114
where:
bonds (distance) C4'-P energy: -81.269
bonds (distance) P-C4' energy: -68.126
flat angles C4'-P-C4' energy: -88.227
flat angles P-C4'-P energy: -66.837
tors. eta vs tors. theta energy: -115.000
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: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1358.586640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.586640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.586640 (E_RNA)
where:
Base-Base interactions energy: -955.003
where: short stacking energy: -405.797
Base-Backbone interact. energy: -0.783
local terms energy: -402.799881
where:
bonds (distance) C4'-P energy: -67.076
bonds (distance) P-C4' energy: -71.664
flat angles C4'-P-C4' energy: -88.971
flat angles P-C4'-P energy: -55.467
tors. eta vs tors. theta energy: -119.622
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: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1306.753190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.753190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.753190 (E_RNA)
where:
Base-Base interactions energy: -915.121
where: short stacking energy: -386.618
Base-Backbone interact. energy: -0.181
local terms energy: -391.451113
where:
bonds (distance) C4'-P energy: -60.750
bonds (distance) P-C4' energy: -79.323
flat angles C4'-P-C4' energy: -81.599
flat angles P-C4'-P energy: -58.218
tors. eta vs tors. theta energy: -111.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1290.941271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.941271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.941271 (E_RNA)
where:
Base-Base interactions energy: -944.542
where: short stacking energy: -382.059
Base-Backbone interact. energy: 0.446
local terms energy: -346.845561
where:
bonds (distance) C4'-P energy: -54.759
bonds (distance) P-C4' energy: -58.732
flat angles C4'-P-C4' energy: -82.252
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -103.321
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: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1228.095393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.095393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.095393 (E_RNA)
where:
Base-Base interactions energy: -843.951
where: short stacking energy: -332.903
Base-Backbone interact. energy: -1.052
local terms energy: -383.092596
where:
bonds (distance) C4'-P energy: -72.737
bonds (distance) P-C4' energy: -72.975
flat angles C4'-P-C4' energy: -80.878
flat angles P-C4'-P energy: -53.721
tors. eta vs tors. theta energy: -102.782
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: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1137.241501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.241501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.241501 (E_RNA)
where:
Base-Base interactions energy: -793.007
where: short stacking energy: -330.727
Base-Backbone interact. energy: 0.096
local terms energy: -344.330428
where:
bonds (distance) C4'-P energy: -59.542
bonds (distance) P-C4' energy: -73.126
flat angles C4'-P-C4' energy: -78.729
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -88.517
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: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1053.208303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.208303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.208303 (E_RNA)
where:
Base-Base interactions energy: -735.141
where: short stacking energy: -325.130
Base-Backbone interact. energy: -0.613
local terms energy: -317.454516
where:
bonds (distance) C4'-P energy: -57.637
bonds (distance) P-C4' energy: -48.408
flat angles C4'-P-C4' energy: -73.411
flat angles P-C4'-P energy: -56.064
tors. eta vs tors. theta energy: -81.934
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: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -989.323576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.323576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.323576 (E_RNA)
where:
Base-Base interactions energy: -660.294
where: short stacking energy: -294.601
Base-Backbone interact. energy: -1.070
local terms energy: -327.959399
where:
bonds (distance) C4'-P energy: -60.735
bonds (distance) P-C4' energy: -66.224
flat angles C4'-P-C4' energy: -71.647
flat angles P-C4'-P energy: -47.741
tors. eta vs tors. theta energy: -81.612
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: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -858.967565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.967565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.967565 (E_RNA)
where:
Base-Base interactions energy: -587.064
where: short stacking energy: -239.659
Base-Backbone interact. energy: 1.889
local terms energy: -273.792143
where:
bonds (distance) C4'-P energy: -47.937
bonds (distance) P-C4' energy: -67.760
flat angles C4'-P-C4' energy: -70.324
flat angles P-C4'-P energy: -37.913
tors. eta vs tors. theta energy: -49.857
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -669.637304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.637304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.637304 (E_RNA)
where:
Base-Base interactions energy: -445.246
where: short stacking energy: -195.770
Base-Backbone interact. energy: -2.660
local terms energy: -221.730977
where:
bonds (distance) C4'-P energy: -59.645
bonds (distance) P-C4' energy: -56.054
flat angles C4'-P-C4' energy: -45.331
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -28.398
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: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1467.975146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.975146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.975146 (E_RNA)
where:
Base-Base interactions energy: -1038.414
where: short stacking energy: -422.267
Base-Backbone interact. energy: -2.505
local terms energy: -427.055447
where:
bonds (distance) C4'-P energy: -84.234
bonds (distance) P-C4' energy: -77.965
flat angles C4'-P-C4' energy: -88.563
flat angles P-C4'-P energy: -53.067
tors. eta vs tors. theta energy: -123.226
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: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1344.797076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.797076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.797076 (E_RNA)
where:
Base-Base interactions energy: -964.025
where: short stacking energy: -398.694
Base-Backbone interact. energy: -1.216
local terms energy: -379.556743
where:
bonds (distance) C4'-P energy: -69.296
bonds (distance) P-C4' energy: -66.753
flat angles C4'-P-C4' energy: -86.140
flat angles P-C4'-P energy: -52.595
tors. eta vs tors. theta energy: -104.773
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: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1330.530230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.530230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.530230 (E_RNA)
where:
Base-Base interactions energy: -962.671
where: short stacking energy: -384.917
Base-Backbone interact. energy: 2.870
local terms energy: -370.729561
where:
bonds (distance) C4'-P energy: -68.007
bonds (distance) P-C4' energy: -65.054
flat angles C4'-P-C4' energy: -80.981
flat angles P-C4'-P energy: -50.321
tors. eta vs tors. theta energy: -106.367
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: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1281.643518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.643518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.643518 (E_RNA)
where:
Base-Base interactions energy: -907.242
where: short stacking energy: -380.374
Base-Backbone interact. energy: -1.061
local terms energy: -373.340985
where:
bonds (distance) C4'-P energy: -66.748
bonds (distance) P-C4' energy: -71.042
flat angles C4'-P-C4' energy: -76.078
flat angles P-C4'-P energy: -57.498
tors. eta vs tors. theta energy: -101.974
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: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1219.020509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.020509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.020509 (E_RNA)
where:
Base-Base interactions energy: -875.059
where: short stacking energy: -365.494
Base-Backbone interact. energy: 3.435
local terms energy: -347.396549
where:
bonds (distance) C4'-P energy: -73.077
bonds (distance) P-C4' energy: -58.841
flat angles C4'-P-C4' energy: -68.947
flat angles P-C4'-P energy: -45.323
tors. eta vs tors. theta energy: -101.209
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: 408
Temperature: 1.150000
Total energy: -1156.056374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.056374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.056374 (E_RNA)
where:
Base-Base interactions energy: -818.520
where: short stacking energy: -344.541
Base-Backbone interact. energy: -1.094
local terms energy: -336.443095
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -77.055
flat angles C4'-P-C4' energy: -72.094
flat angles P-C4'-P energy: -41.619
tors. eta vs tors. theta energy: -86.352
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: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1097.226140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.226140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.226140 (E_RNA)
where:
Base-Base interactions energy: -770.595
where: short stacking energy: -323.599
Base-Backbone interact. energy: 7.963
local terms energy: -334.594815
where:
bonds (distance) C4'-P energy: -56.113
bonds (distance) P-C4' energy: -73.023
flat angles C4'-P-C4' energy: -60.705
flat angles P-C4'-P energy: -43.778
tors. eta vs tors. theta energy: -100.975
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: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1004.827653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.827653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.827653 (E_RNA)
where:
Base-Base interactions energy: -711.474
where: short stacking energy: -290.716
Base-Backbone interact. energy: -1.080
local terms energy: -292.273401
where:
bonds (distance) C4'-P energy: -48.044
bonds (distance) P-C4' energy: -61.419
flat angles C4'-P-C4' energy: -63.087
flat angles P-C4'-P energy: -48.431
tors. eta vs tors. theta energy: -71.292
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: 408
Temperature: 1.300000
Total energy: -896.676266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.676266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.676266 (E_RNA)
where:
Base-Base interactions energy: -607.475
where: short stacking energy: -248.050
Base-Backbone interact. energy: -2.342
local terms energy: -286.859888
where:
bonds (distance) C4'-P energy: -73.973
bonds (distance) P-C4' energy: -63.151
flat angles C4'-P-C4' energy: -71.801
flat angles P-C4'-P energy: -29.221
tors. eta vs tors. theta energy: -48.714
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: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -724.572891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.572891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.572891 (E_RNA)
where:
Base-Base interactions energy: -466.500
where: short stacking energy: -200.576
Base-Backbone interact. energy: -0.855
local terms energy: -257.217486
where:
bonds (distance) C4'-P energy: -54.777
bonds (distance) P-C4' energy: -63.977
flat angles C4'-P-C4' energy: -60.672
flat angles P-C4'-P energy: -39.582
tors. eta vs tors. theta energy: -38.210
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: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1493.911504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.911504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.911504 (E_RNA)
where:
Base-Base interactions energy: -1057.822
where: short stacking energy: -439.510
Base-Backbone interact. energy: -0.686
local terms energy: -435.403688
where:
bonds (distance) C4'-P energy: -85.290
bonds (distance) P-C4' energy: -81.670
flat angles C4'-P-C4' energy: -82.958
flat angles P-C4'-P energy: -61.896
tors. eta vs tors. theta energy: -123.589
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: 409
Temperature: 0.950000
Total energy: -1337.042308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.042308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.042308 (E_RNA)
where:
Base-Base interactions energy: -943.798
where: short stacking energy: -387.839
Base-Backbone interact. energy: -1.341
local terms energy: -391.902726
where:
bonds (distance) C4'-P energy: -68.428
bonds (distance) P-C4' energy: -75.704
flat angles C4'-P-C4' energy: -84.890
flat angles P-C4'-P energy: -57.857
tors. eta vs tors. theta energy: -105.023
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: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1318.269857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.269857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.269857 (E_RNA)
where:
Base-Base interactions energy: -929.432
where: short stacking energy: -390.143
Base-Backbone interact. energy: -0.048
local terms energy: -388.789885
where:
bonds (distance) C4'-P energy: -73.263
bonds (distance) P-C4' energy: -58.276
flat angles C4'-P-C4' energy: -85.522
flat angles P-C4'-P energy: -56.745
tors. eta vs tors. theta energy: -114.983
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: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1268.674344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.674344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.674344 (E_RNA)
where:
Base-Base interactions energy: -889.061
where: short stacking energy: -382.231
Base-Backbone interact. energy: -0.964
local terms energy: -378.649477
where:
bonds (distance) C4'-P energy: -62.560
bonds (distance) P-C4' energy: -78.221
flat angles C4'-P-C4' energy: -82.934
flat angles P-C4'-P energy: -48.511
tors. eta vs tors. theta energy: -106.423
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: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1234.097396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.097396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.097396 (E_RNA)
where:
Base-Base interactions energy: -841.773
where: short stacking energy: -370.707
Base-Backbone interact. energy: 0.079
local terms energy: -392.402606
where:
bonds (distance) C4'-P energy: -67.775
bonds (distance) P-C4' energy: -82.798
flat angles C4'-P-C4' energy: -91.111
flat angles P-C4'-P energy: -50.734
tors. eta vs tors. theta energy: -99.985
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: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1173.654252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.654252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.654252 (E_RNA)
where:
Base-Base interactions energy: -819.799
where: short stacking energy: -351.769
Base-Backbone interact. energy: -1.714
local terms energy: -352.140914
where:
bonds (distance) C4'-P energy: -67.345
bonds (distance) P-C4' energy: -63.318
flat angles C4'-P-C4' energy: -67.063
flat angles P-C4'-P energy: -53.883
tors. eta vs tors. theta energy: -100.531
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: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1105.051999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.051999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.051999 (E_RNA)
where:
Base-Base interactions energy: -772.078
where: short stacking energy: -328.150
Base-Backbone interact. energy: -0.323
local terms energy: -332.651583
where:
bonds (distance) C4'-P energy: -68.149
bonds (distance) P-C4' energy: -57.945
flat angles C4'-P-C4' energy: -70.815
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -89.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1013.241747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.241747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.241747 (E_RNA)
where:
Base-Base interactions energy: -717.282
where: short stacking energy: -306.980
Base-Backbone interact. energy: -0.616
local terms energy: -295.343600
where:
bonds (distance) C4'-P energy: -53.192
bonds (distance) P-C4' energy: -58.794
flat angles C4'-P-C4' energy: -66.251
flat angles P-C4'-P energy: -47.859
tors. eta vs tors. theta energy: -69.247
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: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -857.485256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.485256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.485256 (E_RNA)
where:
Base-Base interactions energy: -585.385
where: short stacking energy: -258.683
Base-Backbone interact. energy: -0.393
local terms energy: -271.706741
where:
bonds (distance) C4'-P energy: -48.199
bonds (distance) P-C4' energy: -49.048
flat angles C4'-P-C4' energy: -67.032
flat angles P-C4'-P energy: -51.711
tors. eta vs tors. theta energy: -55.717
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: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -694.802601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.802601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.802601 (E_RNA)
where:
Base-Base interactions energy: -461.730
where: short stacking energy: -204.127
Base-Backbone interact. energy: -1.688
local terms energy: -231.385448
where:
bonds (distance) C4'-P energy: -52.713
bonds (distance) P-C4' energy: -40.441
flat angles C4'-P-C4' energy: -54.681
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -41.408
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: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1476.213898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.213898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.213898 (E_RNA)
where:
Base-Base interactions energy: -1053.004
where: short stacking energy: -426.740
Base-Backbone interact. energy: -1.107
local terms energy: -422.102366
where:
bonds (distance) C4'-P energy: -67.245
bonds (distance) P-C4' energy: -81.719
flat angles C4'-P-C4' energy: -87.446
flat angles P-C4'-P energy: -63.123
tors. eta vs tors. theta energy: -122.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1336.350881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.350881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.350881 (E_RNA)
where:
Base-Base interactions energy: -954.061
where: short stacking energy: -383.660
Base-Backbone interact. energy: 1.778
local terms energy: -384.068239
where:
bonds (distance) C4'-P energy: -82.313
bonds (distance) P-C4' energy: -71.087
flat angles C4'-P-C4' energy: -85.924
flat angles P-C4'-P energy: -53.512
tors. eta vs tors. theta energy: -91.233
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: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1290.168496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.168496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.168496 (E_RNA)
where:
Base-Base interactions energy: -906.205
where: short stacking energy: -400.210
Base-Backbone interact. energy: -1.381
local terms energy: -382.581878
where:
bonds (distance) C4'-P energy: -67.262
bonds (distance) P-C4' energy: -70.695
flat angles C4'-P-C4' energy: -81.092
flat angles P-C4'-P energy: -52.108
tors. eta vs tors. theta energy: -111.424
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: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1278.245233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.245233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.245233 (E_RNA)
where:
Base-Base interactions energy: -903.991
where: short stacking energy: -381.332
Base-Backbone interact. energy: 0.483
local terms energy: -374.737616
where:
bonds (distance) C4'-P energy: -67.008
bonds (distance) P-C4' energy: -69.522
flat angles C4'-P-C4' energy: -83.586
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -100.080
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: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1243.492372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.492372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.492372 (E_RNA)
where:
Base-Base interactions energy: -869.699
where: short stacking energy: -381.162
Base-Backbone interact. energy: -0.783
local terms energy: -373.010640
where:
bonds (distance) C4'-P energy: -69.297
bonds (distance) P-C4' energy: -67.758
flat angles C4'-P-C4' energy: -78.519
flat angles P-C4'-P energy: -50.436
tors. eta vs tors. theta energy: -107.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1199.231058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.231058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.231058 (E_RNA)
where:
Base-Base interactions energy: -856.677
where: short stacking energy: -366.581
Base-Backbone interact. energy: -2.860
local terms energy: -339.693477
where:
bonds (distance) C4'-P energy: -60.814
bonds (distance) P-C4' energy: -59.808
flat angles C4'-P-C4' energy: -76.301
flat angles P-C4'-P energy: -47.947
tors. eta vs tors. theta energy: -94.824
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: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1084.597621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.597621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.597621 (E_RNA)
where:
Base-Base interactions energy: -736.678
where: short stacking energy: -328.803
Base-Backbone interact. energy: 0.116
local terms energy: -348.035385
where:
bonds (distance) C4'-P energy: -61.298
bonds (distance) P-C4' energy: -69.392
flat angles C4'-P-C4' energy: -77.807
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -86.951
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: 410
Temperature: 1.250000
Total energy: -1013.763389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.763389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.763389 (E_RNA)
where:
Base-Base interactions energy: -704.502
where: short stacking energy: -298.025
Base-Backbone interact. energy: 2.754
local terms energy: -312.015122
where:
bonds (distance) C4'-P energy: -66.492
bonds (distance) P-C4' energy: -64.893
flat angles C4'-P-C4' energy: -65.600
flat angles P-C4'-P energy: -35.925
tors. eta vs tors. theta energy: -79.106
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: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -882.392032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.392032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.392032 (E_RNA)
where:
Base-Base interactions energy: -573.357
where: short stacking energy: -253.130
Base-Backbone interact. energy: -0.252
local terms energy: -308.782868
where:
bonds (distance) C4'-P energy: -65.653
bonds (distance) P-C4' energy: -70.667
flat angles C4'-P-C4' energy: -70.419
flat angles P-C4'-P energy: -41.879
tors. eta vs tors. theta energy: -60.164
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: 10, replica: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -628.274510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.274510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.274510 (E_RNA)
where:
Base-Base interactions energy: -386.023
where: short stacking energy: -181.430
Base-Backbone interact. energy: -2.313
local terms energy: -239.938442
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -56.643
flat angles C4'-P-C4' energy: -72.693
flat angles P-C4'-P energy: -33.426
tors. eta vs tors. theta energy: -26.376
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: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1488.090214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.090214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.090214 (E_RNA)
where:
Base-Base interactions energy: -1066.371
where: short stacking energy: -437.628
Base-Backbone interact. energy: -0.970
local terms energy: -420.749094
where:
bonds (distance) C4'-P energy: -78.262
bonds (distance) P-C4' energy: -78.367
flat angles C4'-P-C4' energy: -83.729
flat angles P-C4'-P energy: -52.166
tors. eta vs tors. theta energy: -128.226
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: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1316.523385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.523385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.523385 (E_RNA)
where:
Base-Base interactions energy: -912.846
where: short stacking energy: -392.437
Base-Backbone interact. energy: 0.020
local terms energy: -403.697356
where:
bonds (distance) C4'-P energy: -75.638
bonds (distance) P-C4' energy: -78.422
flat angles C4'-P-C4' energy: -84.585
flat angles P-C4'-P energy: -58.229
tors. eta vs tors. theta energy: -106.824
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: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1304.524881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.524881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.524881 (E_RNA)
where:
Base-Base interactions energy: -927.805
where: short stacking energy: -388.176
Base-Backbone interact. energy: 0.538
local terms energy: -377.257853
where:
bonds (distance) C4'-P energy: -69.153
bonds (distance) P-C4' energy: -76.264
flat angles C4'-P-C4' energy: -82.944
flat angles P-C4'-P energy: -49.353
tors. eta vs tors. theta energy: -99.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1280.389266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.389266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.389266 (E_RNA)
where:
Base-Base interactions energy: -899.900
where: short stacking energy: -385.565
Base-Backbone interact. energy: 0.110
local terms energy: -380.599423
where:
bonds (distance) C4'-P energy: -57.924
bonds (distance) P-C4' energy: -71.947
flat angles C4'-P-C4' energy: -84.534
flat angles P-C4'-P energy: -58.455
tors. eta vs tors. theta energy: -107.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1244.987278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.987278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.987278 (E_RNA)
where:
Base-Base interactions energy: -869.195
where: short stacking energy: -374.817
Base-Backbone interact. energy: -0.307
local terms energy: -375.484664
where:
bonds (distance) C4'-P energy: -72.338
bonds (distance) P-C4' energy: -77.313
flat angles C4'-P-C4' energy: -77.283
flat angles P-C4'-P energy: -44.099
tors. eta vs tors. theta energy: -104.452
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: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1170.493970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.493970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.493970 (E_RNA)
where:
Base-Base interactions energy: -822.943
where: short stacking energy: -354.724
Base-Backbone interact. energy: -1.419
local terms energy: -346.131622
where:
bonds (distance) C4'-P energy: -58.694
bonds (distance) P-C4' energy: -61.389
flat angles C4'-P-C4' energy: -81.309
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -100.214
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: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1091.890822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.890822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.890822 (E_RNA)
where:
Base-Base interactions energy: -752.378
where: short stacking energy: -316.563
Base-Backbone interact. energy: 0.662
local terms energy: -340.175178
where:
bonds (distance) C4'-P energy: -63.408
bonds (distance) P-C4' energy: -69.163
flat angles C4'-P-C4' energy: -72.363
flat angles P-C4'-P energy: -54.233
tors. eta vs tors. theta energy: -81.009
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: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1007.756808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.756808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.756808 (E_RNA)
where:
Base-Base interactions energy: -698.745
where: short stacking energy: -287.666
Base-Backbone interact. energy: 1.565
local terms energy: -310.577147
where:
bonds (distance) C4'-P energy: -55.442
bonds (distance) P-C4' energy: -74.216
flat angles C4'-P-C4' energy: -66.932
flat angles P-C4'-P energy: -40.325
tors. eta vs tors. theta energy: -73.663
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: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -861.196147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.196147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.196147 (E_RNA)
where:
Base-Base interactions energy: -589.629
where: short stacking energy: -240.391
Base-Backbone interact. energy: -0.345
local terms energy: -271.221713
where:
bonds (distance) C4'-P energy: -50.587
bonds (distance) P-C4' energy: -62.476
flat angles C4'-P-C4' energy: -74.787
flat angles P-C4'-P energy: -33.852
tors. eta vs tors. theta energy: -49.521
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: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -642.597895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.597895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.597895 (E_RNA)
where:
Base-Base interactions energy: -393.823
where: short stacking energy: -191.192
Base-Backbone interact. energy: -4.753
local terms energy: -244.022407
where:
bonds (distance) C4'-P energy: -50.219
bonds (distance) P-C4' energy: -71.135
flat angles C4'-P-C4' energy: -50.468
flat angles P-C4'-P energy: -28.201
tors. eta vs tors. theta energy: -43.999
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: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1480.491373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.491373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.491373 (E_RNA)
where:
Base-Base interactions energy: -1059.121
where: short stacking energy: -433.074
Base-Backbone interact. energy: -1.990
local terms energy: -419.380238
where:
bonds (distance) C4'-P energy: -75.009
bonds (distance) P-C4' energy: -84.522
flat angles C4'-P-C4' energy: -82.182
flat angles P-C4'-P energy: -56.402
tors. eta vs tors. theta energy: -121.265
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: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1328.888418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.888418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.888418 (E_RNA)
where:
Base-Base interactions energy: -926.657
where: short stacking energy: -395.752
Base-Backbone interact. energy: -0.841
local terms energy: -401.390094
where:
bonds (distance) C4'-P energy: -75.618
bonds (distance) P-C4' energy: -80.170
flat angles C4'-P-C4' energy: -79.439
flat angles P-C4'-P energy: -49.665
tors. eta vs tors. theta energy: -116.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1334.000899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.000899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.000899 (E_RNA)
where:
Base-Base interactions energy: -945.623
where: short stacking energy: -386.072
Base-Backbone interact. energy: -4.049
local terms energy: -384.328905
where:
bonds (distance) C4'-P energy: -68.374
bonds (distance) P-C4' energy: -73.747
flat angles C4'-P-C4' energy: -77.330
flat angles P-C4'-P energy: -55.720
tors. eta vs tors. theta energy: -109.159
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: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1279.250493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.250493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.250493 (E_RNA)
where:
Base-Base interactions energy: -887.476
where: short stacking energy: -354.530
Base-Backbone interact. energy: -1.407
local terms energy: -390.367555
where:
bonds (distance) C4'-P energy: -74.661
bonds (distance) P-C4' energy: -76.826
flat angles C4'-P-C4' energy: -77.370
flat angles P-C4'-P energy: -58.688
tors. eta vs tors. theta energy: -102.823
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: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1246.218471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.218471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.218471 (E_RNA)
where:
Base-Base interactions energy: -878.439
where: short stacking energy: -371.346
Base-Backbone interact. energy: -0.426
local terms energy: -367.353815
where:
bonds (distance) C4'-P energy: -70.306
bonds (distance) P-C4' energy: -68.267
flat angles C4'-P-C4' energy: -73.755
flat angles P-C4'-P energy: -48.851
tors. eta vs tors. theta energy: -106.175
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: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1187.500405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.500405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.500405 (E_RNA)
where:
Base-Base interactions energy: -837.361
where: short stacking energy: -367.185
Base-Backbone interact. energy: 1.777
local terms energy: -351.916007
where:
bonds (distance) C4'-P energy: -65.749
bonds (distance) P-C4' energy: -69.458
flat angles C4'-P-C4' energy: -74.351
flat angles P-C4'-P energy: -47.622
tors. eta vs tors. theta energy: -94.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1101.628111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.628111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.628111 (E_RNA)
where:
Base-Base interactions energy: -775.575
where: short stacking energy: -304.210
Base-Backbone interact. energy: 4.339
local terms energy: -330.392124
where:
bonds (distance) C4'-P energy: -64.863
bonds (distance) P-C4' energy: -59.820
flat angles C4'-P-C4' energy: -73.530
flat angles P-C4'-P energy: -54.253
tors. eta vs tors. theta energy: -77.926
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: 412
Temperature: 1.250000
Total energy: -973.562490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.562490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.562490 (E_RNA)
where:
Base-Base interactions energy: -695.393
where: short stacking energy: -302.328
Base-Backbone interact. energy: 3.325
local terms energy: -281.494260
where:
bonds (distance) C4'-P energy: -57.798
bonds (distance) P-C4' energy: -51.460
flat angles C4'-P-C4' energy: -64.516
flat angles P-C4'-P energy: -46.110
tors. eta vs tors. theta energy: -61.610
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: 412
Temperature: 1.300000
Total energy: -887.703323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.703323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.703323 (E_RNA)
where:
Base-Base interactions energy: -605.768
where: short stacking energy: -250.878
Base-Backbone interact. energy: -2.458
local terms energy: -279.477982
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -63.017
flat angles C4'-P-C4' energy: -67.179
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -65.851
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: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -670.682620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.682620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.682620 (E_RNA)
where:
Base-Base interactions energy: -427.748
where: short stacking energy: -189.002
Base-Backbone interact. energy: -1.297
local terms energy: -241.638149
where:
bonds (distance) C4'-P energy: -54.217
bonds (distance) P-C4' energy: -65.898
flat angles C4'-P-C4' energy: -50.116
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -29.646
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: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1467.289192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.289192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.289192 (E_RNA)
where:
Base-Base interactions energy: -1058.456
where: short stacking energy: -426.497
Base-Backbone interact. energy: -1.234
local terms energy: -407.599187
where:
bonds (distance) C4'-P energy: -66.081
bonds (distance) P-C4' energy: -81.526
flat angles C4'-P-C4' energy: -82.958
flat angles P-C4'-P energy: -55.889
tors. eta vs tors. theta energy: -121.145
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: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1344.792974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.792974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.792974 (E_RNA)
where:
Base-Base interactions energy: -967.151
where: short stacking energy: -379.074
Base-Backbone interact. energy: -2.068
local terms energy: -375.573685
where:
bonds (distance) C4'-P energy: -56.661
bonds (distance) P-C4' energy: -74.931
flat angles C4'-P-C4' energy: -84.881
flat angles P-C4'-P energy: -56.456
tors. eta vs tors. theta energy: -102.644
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: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1305.530935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.530935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.530935 (E_RNA)
where:
Base-Base interactions energy: -922.829
where: short stacking energy: -397.150
Base-Backbone interact. energy: 0.393
local terms energy: -383.093995
where:
bonds (distance) C4'-P energy: -72.649
bonds (distance) P-C4' energy: -68.929
flat angles C4'-P-C4' energy: -78.507
flat angles P-C4'-P energy: -49.063
tors. eta vs tors. theta energy: -113.946
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: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1287.537844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.537844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.537844 (E_RNA)
where:
Base-Base interactions energy: -903.453
where: short stacking energy: -381.894
Base-Backbone interact. energy: -0.982
local terms energy: -383.103013
where:
bonds (distance) C4'-P energy: -70.122
bonds (distance) P-C4' energy: -75.579
flat angles C4'-P-C4' energy: -79.097
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: -111.741
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: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1246.721670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.721670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.721670 (E_RNA)
where:
Base-Base interactions energy: -865.358
where: short stacking energy: -366.358
Base-Backbone interact. energy: -1.864
local terms energy: -379.499245
where:
bonds (distance) C4'-P energy: -72.705
bonds (distance) P-C4' energy: -76.651
flat angles C4'-P-C4' energy: -78.435
flat angles P-C4'-P energy: -51.220
tors. eta vs tors. theta energy: -100.489
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: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1146.142826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.142826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.142826 (E_RNA)
where:
Base-Base interactions energy: -811.166
where: short stacking energy: -335.600
Base-Backbone interact. energy: -1.423
local terms energy: -333.554062
where:
bonds (distance) C4'-P energy: -65.437
bonds (distance) P-C4' energy: -63.864
flat angles C4'-P-C4' energy: -65.154
flat angles P-C4'-P energy: -45.532
tors. eta vs tors. theta energy: -93.568
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: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1074.546971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.546971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.546971 (E_RNA)
where:
Base-Base interactions energy: -755.569
where: short stacking energy: -312.254
Base-Backbone interact. energy: -1.881
local terms energy: -317.096300
where:
bonds (distance) C4'-P energy: -61.206
bonds (distance) P-C4' energy: -68.649
flat angles C4'-P-C4' energy: -64.273
flat angles P-C4'-P energy: -41.779
tors. eta vs tors. theta energy: -81.190
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: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -945.652614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.652614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.652614 (E_RNA)
where:
Base-Base interactions energy: -647.584
where: short stacking energy: -271.944
Base-Backbone interact. energy: -1.852
local terms energy: -296.217087
where:
bonds (distance) C4'-P energy: -59.369
bonds (distance) P-C4' energy: -63.355
flat angles C4'-P-C4' energy: -71.355
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -62.916
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: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -902.672766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.672766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.672766 (E_RNA)
where:
Base-Base interactions energy: -636.088
where: short stacking energy: -270.007
Base-Backbone interact. energy: 0.285
local terms energy: -266.869789
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -56.261
flat angles C4'-P-C4' energy: -64.683
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -60.989
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: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -594.264159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.264159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.264159 (E_RNA)
where:
Base-Base interactions energy: -373.592
where: short stacking energy: -158.262
Base-Backbone interact. energy: -1.325
local terms energy: -219.346640
where:
bonds (distance) C4'-P energy: -48.010
bonds (distance) P-C4' energy: -69.389
flat angles C4'-P-C4' energy: -60.684
flat angles P-C4'-P energy: -25.679
tors. eta vs tors. theta energy: -15.584
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: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1477.463622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.463622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.463622 (E_RNA)
where:
Base-Base interactions energy: -1053.814
where: short stacking energy: -432.790
Base-Backbone interact. energy: -0.699
local terms energy: -422.949965
where:
bonds (distance) C4'-P energy: -82.888
bonds (distance) P-C4' energy: -64.282
flat angles C4'-P-C4' energy: -91.947
flat angles P-C4'-P energy: -57.661
tors. eta vs tors. theta energy: -126.171
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: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1338.701401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.701401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.701401 (E_RNA)
where:
Base-Base interactions energy: -954.915
where: short stacking energy: -390.361
Base-Backbone interact. energy: -0.267
local terms energy: -383.519151
where:
bonds (distance) C4'-P energy: -68.894
bonds (distance) P-C4' energy: -75.246
flat angles C4'-P-C4' energy: -80.419
flat angles P-C4'-P energy: -53.323
tors. eta vs tors. theta energy: -105.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1326.423886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.423886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.423886 (E_RNA)
where:
Base-Base interactions energy: -921.298
where: short stacking energy: -397.696
Base-Backbone interact. energy: -0.804
local terms energy: -404.322518
where:
bonds (distance) C4'-P energy: -76.686
bonds (distance) P-C4' energy: -67.098
flat angles C4'-P-C4' energy: -79.285
flat angles P-C4'-P energy: -60.547
tors. eta vs tors. theta energy: -120.706
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: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1279.858285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.858285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.858285 (E_RNA)
where:
Base-Base interactions energy: -906.303
where: short stacking energy: -390.502
Base-Backbone interact. energy: -2.739
local terms energy: -370.815952
where:
bonds (distance) C4'-P energy: -69.476
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -79.953
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -103.311
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: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1265.773062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.773062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.773062 (E_RNA)
where:
Base-Base interactions energy: -875.814
where: short stacking energy: -369.688
Base-Backbone interact. energy: -1.963
local terms energy: -387.996388
where:
bonds (distance) C4'-P energy: -76.540
bonds (distance) P-C4' energy: -78.628
flat angles C4'-P-C4' energy: -76.242
flat angles P-C4'-P energy: -54.020
tors. eta vs tors. theta energy: -102.565
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: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1141.595441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.595441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.595441 (E_RNA)
where:
Base-Base interactions energy: -817.363
where: short stacking energy: -341.761
Base-Backbone interact. energy: -0.863
local terms energy: -323.370057
where:
bonds (distance) C4'-P energy: -66.063
bonds (distance) P-C4' energy: -55.408
flat angles C4'-P-C4' energy: -68.511
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: -96.874
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1097.014948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.014948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.014948 (E_RNA)
where:
Base-Base interactions energy: -780.197
where: short stacking energy: -329.270
Base-Backbone interact. energy: -2.070
local terms energy: -314.748016
where:
bonds (distance) C4'-P energy: -63.496
bonds (distance) P-C4' energy: -52.185
flat angles C4'-P-C4' energy: -69.376
flat angles P-C4'-P energy: -40.409
tors. eta vs tors. theta energy: -89.282
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: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1000.351425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.351425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.351425 (E_RNA)
where:
Base-Base interactions energy: -683.440
where: short stacking energy: -294.285
Base-Backbone interact. energy: -1.833
local terms energy: -315.078836
where:
bonds (distance) C4'-P energy: -60.429
bonds (distance) P-C4' energy: -61.858
flat angles C4'-P-C4' energy: -74.051
flat angles P-C4'-P energy: -37.703
tors. eta vs tors. theta energy: -81.038
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: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -977.232447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.232447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.232447 (E_RNA)
where:
Base-Base interactions energy: -695.840
where: short stacking energy: -296.759
Base-Backbone interact. energy: 0.473
local terms energy: -281.864882
where:
bonds (distance) C4'-P energy: -63.797
bonds (distance) P-C4' energy: -51.147
flat angles C4'-P-C4' energy: -68.036
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -75.112
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: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -598.752599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.752599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.752599 (E_RNA)
where:
Base-Base interactions energy: -357.818
where: short stacking energy: -157.943
Base-Backbone interact. energy: -1.709
local terms energy: -239.225195
where:
bonds (distance) C4'-P energy: -61.682
bonds (distance) P-C4' energy: -62.805
flat angles C4'-P-C4' energy: -63.745
flat angles P-C4'-P energy: -32.389
tors. eta vs tors. theta energy: -18.604
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: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1495.871545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.871545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.871545 (E_RNA)
where:
Base-Base interactions energy: -1067.168
where: short stacking energy: -431.581
Base-Backbone interact. energy: -0.910
local terms energy: -427.793525
where:
bonds (distance) C4'-P energy: -77.394
bonds (distance) P-C4' energy: -77.562
flat angles C4'-P-C4' energy: -93.865
flat angles P-C4'-P energy: -59.543
tors. eta vs tors. theta energy: -119.430
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: 415
Temperature: 0.950000
Total energy: -1346.456780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.456780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.456780 (E_RNA)
where:
Base-Base interactions energy: -966.500
where: short stacking energy: -398.877
Base-Backbone interact. energy: -0.483
local terms energy: -379.473731
where:
bonds (distance) C4'-P energy: -67.169
bonds (distance) P-C4' energy: -69.274
flat angles C4'-P-C4' energy: -81.948
flat angles P-C4'-P energy: -54.629
tors. eta vs tors. theta energy: -106.454
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: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1338.926679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.926679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.926679 (E_RNA)
where:
Base-Base interactions energy: -938.618
where: short stacking energy: -387.316
Base-Backbone interact. energy: -0.084
local terms energy: -400.225068
where:
bonds (distance) C4'-P energy: -80.112
bonds (distance) P-C4' energy: -69.309
flat angles C4'-P-C4' energy: -87.362
flat angles P-C4'-P energy: -50.850
tors. eta vs tors. theta energy: -112.591
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: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1286.403449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.403449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.403449 (E_RNA)
where:
Base-Base interactions energy: -913.036
where: short stacking energy: -386.135
Base-Backbone interact. energy: -1.537
local terms energy: -371.831001
where:
bonds (distance) C4'-P energy: -68.033
bonds (distance) P-C4' energy: -68.418
flat angles C4'-P-C4' energy: -81.496
flat angles P-C4'-P energy: -45.985
tors. eta vs tors. theta energy: -107.900
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: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1239.677186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.677186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.677186 (E_RNA)
where:
Base-Base interactions energy: -882.995
where: short stacking energy: -366.360
Base-Backbone interact. energy: -0.123
local terms energy: -356.559213
where:
bonds (distance) C4'-P energy: -52.779
bonds (distance) P-C4' energy: -79.315
flat angles C4'-P-C4' energy: -75.613
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: -104.796
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: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1130.863544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.863544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.863544 (E_RNA)
where:
Base-Base interactions energy: -780.413
where: short stacking energy: -348.143
Base-Backbone interact. energy: 3.701
local terms energy: -354.151139
where:
bonds (distance) C4'-P energy: -65.140
bonds (distance) P-C4' energy: -66.211
flat angles C4'-P-C4' energy: -78.940
flat angles P-C4'-P energy: -46.599
tors. eta vs tors. theta energy: -97.261
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: 415
Temperature: 1.200000
Total energy: -1132.930992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.930992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.930992 (E_RNA)
where:
Base-Base interactions energy: -811.906
where: short stacking energy: -333.501
Base-Backbone interact. energy: -1.904
local terms energy: -319.121013
where:
bonds (distance) C4'-P energy: -58.885
bonds (distance) P-C4' energy: -63.887
flat angles C4'-P-C4' energy: -67.092
flat angles P-C4'-P energy: -38.436
tors. eta vs tors. theta energy: -90.822
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: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1018.488183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.488183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.488183 (E_RNA)
where:
Base-Base interactions energy: -707.145
where: short stacking energy: -282.344
Base-Backbone interact. energy: 0.093
local terms energy: -311.436601
where:
bonds (distance) C4'-P energy: -65.698
bonds (distance) P-C4' energy: -62.787
flat angles C4'-P-C4' energy: -65.984
flat angles P-C4'-P energy: -44.898
tors. eta vs tors. theta energy: -72.069
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: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -953.996331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.996331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.996331 (E_RNA)
where:
Base-Base interactions energy: -677.878
where: short stacking energy: -302.280
Base-Backbone interact. energy: -1.227
local terms energy: -274.891241
where:
bonds (distance) C4'-P energy: -55.536
bonds (distance) P-C4' energy: -54.787
flat angles C4'-P-C4' energy: -57.323
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -75.272
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: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -601.979032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.979032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.979032 (E_RNA)
where:
Base-Base interactions energy: -352.009
where: short stacking energy: -185.774
Base-Backbone interact. energy: -0.859
local terms energy: -249.111142
where:
bonds (distance) C4'-P energy: -64.928
bonds (distance) P-C4' energy: -56.057
flat angles C4'-P-C4' energy: -51.310
flat angles P-C4'-P energy: -45.069
tors. eta vs tors. theta energy: -31.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1476.335195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.335195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.335195 (E_RNA)
where:
Base-Base interactions energy: -1074.206
where: short stacking energy: -448.196
Base-Backbone interact. energy: -0.779
local terms energy: -401.350353
where:
bonds (distance) C4'-P energy: -66.097
bonds (distance) P-C4' energy: -67.729
flat angles C4'-P-C4' energy: -90.062
flat angles P-C4'-P energy: -55.117
tors. eta vs tors. theta energy: -122.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1350.701486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.701486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.701486 (E_RNA)
where:
Base-Base interactions energy: -976.680
where: short stacking energy: -386.846
Base-Backbone interact. energy: -1.470
local terms energy: -372.551206
where:
bonds (distance) C4'-P energy: -57.924
bonds (distance) P-C4' energy: -73.176
flat angles C4'-P-C4' energy: -79.934
flat angles P-C4'-P energy: -58.066
tors. eta vs tors. theta energy: -103.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1325.630333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.630333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.630333 (E_RNA)
where:
Base-Base interactions energy: -935.611
where: short stacking energy: -394.019
Base-Backbone interact. energy: -0.828
local terms energy: -389.190887
where:
bonds (distance) C4'-P energy: -81.000
bonds (distance) P-C4' energy: -71.031
flat angles C4'-P-C4' energy: -70.108
flat angles P-C4'-P energy: -49.220
tors. eta vs tors. theta energy: -117.833
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: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1283.210751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.210751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.210751 (E_RNA)
where:
Base-Base interactions energy: -925.807
where: short stacking energy: -393.101
Base-Backbone interact. energy: -0.880
local terms energy: -356.523460
where:
bonds (distance) C4'-P energy: -48.012
bonds (distance) P-C4' energy: -72.040
flat angles C4'-P-C4' energy: -79.376
flat angles P-C4'-P energy: -52.921
tors. eta vs tors. theta energy: -104.174
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: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1244.406963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.406963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.406963 (E_RNA)
where:
Base-Base interactions energy: -893.903
where: short stacking energy: -371.604
Base-Backbone interact. energy: -1.270
local terms energy: -349.234711
where:
bonds (distance) C4'-P energy: -62.699
bonds (distance) P-C4' energy: -61.955
flat angles C4'-P-C4' energy: -77.887
flat angles P-C4'-P energy: -47.796
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: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1103.975915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.975915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.975915 (E_RNA)
where:
Base-Base interactions energy: -783.596
where: short stacking energy: -335.415
Base-Backbone interact. energy: -0.457
local terms energy: -319.922855
where:
bonds (distance) C4'-P energy: -65.631
bonds (distance) P-C4' energy: -55.436
flat angles C4'-P-C4' energy: -73.011
flat angles P-C4'-P energy: -40.732
tors. eta vs tors. theta energy: -85.112
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: 416
Temperature: 1.200000
Total energy: -1098.491457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.491457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.491457 (E_RNA)
where:
Base-Base interactions energy: -789.547
where: short stacking energy: -334.554
Base-Backbone interact. energy: -1.301
local terms energy: -307.643433
where:
bonds (distance) C4'-P energy: -59.420
bonds (distance) P-C4' energy: -42.796
flat angles C4'-P-C4' energy: -65.644
flat angles P-C4'-P energy: -44.888
tors. eta vs tors. theta energy: -94.896
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: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -996.613307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.613307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.613307 (E_RNA)
where:
Base-Base interactions energy: -672.981
where: short stacking energy: -281.602
Base-Backbone interact. energy: -0.198
local terms energy: -323.435078
where:
bonds (distance) C4'-P energy: -68.881
bonds (distance) P-C4' energy: -69.646
flat angles C4'-P-C4' energy: -73.393
flat angles P-C4'-P energy: -47.777
tors. eta vs tors. theta energy: -63.738
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: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -950.480376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.480376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.480376 (E_RNA)
where:
Base-Base interactions energy: -654.127
where: short stacking energy: -274.824
Base-Backbone interact. energy: 0.194
local terms energy: -296.547237
where:
bonds (distance) C4'-P energy: -63.768
bonds (distance) P-C4' energy: -64.746
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -36.305
tors. eta vs tors. theta energy: -69.813
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: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -596.156296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.156296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.156296 (E_RNA)
where:
Base-Base interactions energy: -391.927
where: short stacking energy: -175.379
Base-Backbone interact. energy: 6.499
local terms energy: -210.728516
where:
bonds (distance) C4'-P energy: -41.105
bonds (distance) P-C4' energy: -62.208
flat angles C4'-P-C4' energy: -63.119
flat angles P-C4'-P energy: -24.835
tors. eta vs tors. theta energy: -19.462
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: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1485.229667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.229667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.229667 (E_RNA)
where:
Base-Base interactions energy: -1067.920
where: short stacking energy: -440.805
Base-Backbone interact. energy: 2.059
local terms energy: -419.368434
where:
bonds (distance) C4'-P energy: -84.003
bonds (distance) P-C4' energy: -69.891
flat angles C4'-P-C4' energy: -85.314
flat angles P-C4'-P energy: -57.001
tors. eta vs tors. theta energy: -123.159
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: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1343.681032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.681032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.681032 (E_RNA)
where:
Base-Base interactions energy: -948.995
where: short stacking energy: -387.025
Base-Backbone interact. energy: -0.431
local terms energy: -394.255398
where:
bonds (distance) C4'-P energy: -78.414
bonds (distance) P-C4' energy: -77.112
flat angles C4'-P-C4' energy: -90.585
flat angles P-C4'-P energy: -48.030
tors. eta vs tors. theta energy: -100.114
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: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1327.829548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.829548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.829548 (E_RNA)
where:
Base-Base interactions energy: -941.499
where: short stacking energy: -390.353
Base-Backbone interact. energy: -0.123
local terms energy: -386.207991
where:
bonds (distance) C4'-P energy: -71.021
bonds (distance) P-C4' energy: -56.601
flat angles C4'-P-C4' energy: -80.830
flat angles P-C4'-P energy: -58.180
tors. eta vs tors. theta energy: -119.576
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: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1285.965345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.965345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.965345 (E_RNA)
where:
Base-Base interactions energy: -911.559
where: short stacking energy: -386.535
Base-Backbone interact. energy: 0.912
local terms energy: -375.317872
where:
bonds (distance) C4'-P energy: -67.396
bonds (distance) P-C4' energy: -67.608
flat angles C4'-P-C4' energy: -81.601
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: -104.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1250.984839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.984839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.984839 (E_RNA)
where:
Base-Base interactions energy: -873.239
where: short stacking energy: -363.742
Base-Backbone interact. energy: -0.728
local terms energy: -377.018325
where:
bonds (distance) C4'-P energy: -76.842
bonds (distance) P-C4' energy: -65.354
flat angles C4'-P-C4' energy: -73.406
flat angles P-C4'-P energy: -49.350
tors. eta vs tors. theta energy: -112.066
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: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1134.790219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.790219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.790219 (E_RNA)
where:
Base-Base interactions energy: -783.636
where: short stacking energy: -340.978
Base-Backbone interact. energy: -0.353
local terms energy: -350.801582
where:
bonds (distance) C4'-P energy: -54.892
bonds (distance) P-C4' energy: -65.486
flat angles C4'-P-C4' energy: -76.772
flat angles P-C4'-P energy: -58.628
tors. eta vs tors. theta energy: -95.023
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: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1136.411909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.411909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.411909 (E_RNA)
where:
Base-Base interactions energy: -784.412
where: short stacking energy: -339.127
Base-Backbone interact. energy: -0.651
local terms energy: -351.349169
where:
bonds (distance) C4'-P energy: -69.101
bonds (distance) P-C4' energy: -56.604
flat angles C4'-P-C4' energy: -77.268
flat angles P-C4'-P energy: -52.174
tors. eta vs tors. theta energy: -96.202
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: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -990.039829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.039829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.039829 (E_RNA)
where:
Base-Base interactions energy: -669.813
where: short stacking energy: -279.927
Base-Backbone interact. energy: -2.042
local terms energy: -318.184803
where:
bonds (distance) C4'-P energy: -65.297
bonds (distance) P-C4' energy: -55.688
flat angles C4'-P-C4' energy: -72.393
flat angles P-C4'-P energy: -59.295
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: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -939.841046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.841046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.841046 (E_RNA)
where:
Base-Base interactions energy: -661.743
where: short stacking energy: -279.174
Base-Backbone interact. energy: 0.537
local terms energy: -278.635102
where:
bonds (distance) C4'-P energy: -45.923
bonds (distance) P-C4' energy: -56.705
flat angles C4'-P-C4' energy: -65.292
flat angles P-C4'-P energy: -40.797
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: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -552.140190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.140190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.140190 (E_RNA)
where:
Base-Base interactions energy: -331.291
where: short stacking energy: -157.478
Base-Backbone interact. energy: 0.914
local terms energy: -221.763257
where:
bonds (distance) C4'-P energy: -63.575
bonds (distance) P-C4' energy: -52.227
flat angles C4'-P-C4' energy: -70.263
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -13.753
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: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1475.829214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.829214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.829214 (E_RNA)
where:
Base-Base interactions energy: -1054.044
where: short stacking energy: -431.283
Base-Backbone interact. energy: -0.572
local terms energy: -421.213273
where:
bonds (distance) C4'-P energy: -68.054
bonds (distance) P-C4' energy: -79.825
flat angles C4'-P-C4' energy: -85.866
flat angles P-C4'-P energy: -68.710
tors. eta vs tors. theta energy: -118.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1366.464367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.464367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.464367 (E_RNA)
where:
Base-Base interactions energy: -968.354
where: short stacking energy: -401.685
Base-Backbone interact. energy: -1.177
local terms energy: -396.932968
where:
bonds (distance) C4'-P energy: -69.578
bonds (distance) P-C4' energy: -81.018
flat angles C4'-P-C4' energy: -79.907
flat angles P-C4'-P energy: -56.503
tors. eta vs tors. theta energy: -109.926
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: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1321.936906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.936906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.936906 (E_RNA)
where:
Base-Base interactions energy: -938.153
where: short stacking energy: -388.913
Base-Backbone interact. energy: -0.867
local terms energy: -382.916186
where:
bonds (distance) C4'-P energy: -61.209
bonds (distance) P-C4' energy: -80.830
flat angles C4'-P-C4' energy: -85.889
flat angles P-C4'-P energy: -47.240
tors. eta vs tors. theta energy: -107.749
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: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1273.760067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.760067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.760067 (E_RNA)
where:
Base-Base interactions energy: -894.014
where: short stacking energy: -379.789
Base-Backbone interact. energy: 0.771
local terms energy: -380.516953
where:
bonds (distance) C4'-P energy: -72.006
bonds (distance) P-C4' energy: -73.453
flat angles C4'-P-C4' energy: -80.462
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -111.028
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: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1245.622451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.622451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.622451 (E_RNA)
where:
Base-Base interactions energy: -871.142
where: short stacking energy: -366.934
Base-Backbone interact. energy: -1.329
local terms energy: -373.151663
where:
bonds (distance) C4'-P energy: -67.107
bonds (distance) P-C4' energy: -73.549
flat angles C4'-P-C4' energy: -77.570
flat angles P-C4'-P energy: -46.528
tors. eta vs tors. theta energy: -108.398
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: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1111.029388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.029388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.029388 (E_RNA)
where:
Base-Base interactions energy: -784.731
where: short stacking energy: -321.992
Base-Backbone interact. energy: -0.831
local terms energy: -325.467142
where:
bonds (distance) C4'-P energy: -53.584
bonds (distance) P-C4' energy: -62.855
flat angles C4'-P-C4' energy: -76.530
flat angles P-C4'-P energy: -48.445
tors. eta vs tors. theta energy: -84.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1088.941420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.941420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.941420 (E_RNA)
where:
Base-Base interactions energy: -770.727
where: short stacking energy: -317.137
Base-Backbone interact. energy: -2.441
local terms energy: -315.772493
where:
bonds (distance) C4'-P energy: -54.163
bonds (distance) P-C4' energy: -55.018
flat angles C4'-P-C4' energy: -70.273
flat angles P-C4'-P energy: -47.020
tors. eta vs tors. theta energy: -89.298
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: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1004.315430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.315430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.315430 (E_RNA)
where:
Base-Base interactions energy: -726.686
where: short stacking energy: -320.870
Base-Backbone interact. energy: 3.544
local terms energy: -281.173610
where:
bonds (distance) C4'-P energy: -45.877
bonds (distance) P-C4' energy: -55.616
flat angles C4'-P-C4' energy: -67.321
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -73.300
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: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -924.892655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.892655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.892655 (E_RNA)
where:
Base-Base interactions energy: -636.129
where: short stacking energy: -244.453
Base-Backbone interact. energy: 2.345
local terms energy: -291.108397
where:
bonds (distance) C4'-P energy: -64.709
bonds (distance) P-C4' energy: -59.453
flat angles C4'-P-C4' energy: -76.053
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -63.933
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: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -585.106554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.106554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.106554 (E_RNA)
where:
Base-Base interactions energy: -350.980
where: short stacking energy: -150.419
Base-Backbone interact. energy: 6.375
local terms energy: -240.501722
where:
bonds (distance) C4'-P energy: -60.192
bonds (distance) P-C4' energy: -55.759
flat angles C4'-P-C4' energy: -66.084
flat angles P-C4'-P energy: -47.276
tors. eta vs tors. theta energy: -11.191
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: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1496.565512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.565512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.565512 (E_RNA)
where:
Base-Base interactions energy: -1067.728
where: short stacking energy: -444.790
Base-Backbone interact. energy: -0.968
local terms energy: -427.869315
where:
bonds (distance) C4'-P energy: -77.631
bonds (distance) P-C4' energy: -71.182
flat angles C4'-P-C4' energy: -91.035
flat angles P-C4'-P energy: -58.599
tors. eta vs tors. theta energy: -129.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1339.535057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.535057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.535057 (E_RNA)
where:
Base-Base interactions energy: -935.538
where: short stacking energy: -390.699
Base-Backbone interact. energy: -0.085
local terms energy: -403.911518
where:
bonds (distance) C4'-P energy: -74.858
bonds (distance) P-C4' energy: -78.658
flat angles C4'-P-C4' energy: -85.964
flat angles P-C4'-P energy: -59.023
tors. eta vs tors. theta energy: -105.408
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: 419
Temperature: 1.000000
Total energy: -1355.325823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.325823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.325823 (E_RNA)
where:
Base-Base interactions energy: -966.773
where: short stacking energy: -400.517
Base-Backbone interact. energy: -0.951
local terms energy: -387.601107
where:
bonds (distance) C4'-P energy: -72.490
bonds (distance) P-C4' energy: -69.315
flat angles C4'-P-C4' energy: -85.265
flat angles P-C4'-P energy: -56.829
tors. eta vs tors. theta energy: -103.701
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: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1278.061768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.061768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.061768 (E_RNA)
where:
Base-Base interactions energy: -894.814
where: short stacking energy: -379.598
Base-Backbone interact. energy: -0.519
local terms energy: -382.728976
where:
bonds (distance) C4'-P energy: -71.623
bonds (distance) P-C4' energy: -78.742
flat angles C4'-P-C4' energy: -82.282
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: -95.972
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: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1250.464781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.464781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.464781 (E_RNA)
where:
Base-Base interactions energy: -876.639
where: short stacking energy: -372.000
Base-Backbone interact. energy: -1.094
local terms energy: -372.732270
where:
bonds (distance) C4'-P energy: -63.064
bonds (distance) P-C4' energy: -76.279
flat angles C4'-P-C4' energy: -74.296
flat angles P-C4'-P energy: -50.687
tors. eta vs tors. theta energy: -108.406
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: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1127.482793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.482793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.482793 (E_RNA)
where:
Base-Base interactions energy: -799.049
where: short stacking energy: -341.222
Base-Backbone interact. energy: -1.662
local terms energy: -326.771883
where:
bonds (distance) C4'-P energy: -66.381
bonds (distance) P-C4' energy: -64.160
flat angles C4'-P-C4' energy: -78.005
flat angles P-C4'-P energy: -30.702
tors. eta vs tors. theta energy: -87.523
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: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1096.292380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.292380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.292380 (E_RNA)
where:
Base-Base interactions energy: -748.974
where: short stacking energy: -305.879
Base-Backbone interact. energy: -2.017
local terms energy: -345.301293
where:
bonds (distance) C4'-P energy: -65.484
bonds (distance) P-C4' energy: -78.074
flat angles C4'-P-C4' energy: -77.376
flat angles P-C4'-P energy: -42.023
tors. eta vs tors. theta energy: -82.345
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: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1019.964975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.964975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.964975 (E_RNA)
where:
Base-Base interactions energy: -704.605
where: short stacking energy: -296.350
Base-Backbone interact. energy: 0.002
local terms energy: -315.361951
where:
bonds (distance) C4'-P energy: -54.258
bonds (distance) P-C4' energy: -66.112
flat angles C4'-P-C4' energy: -66.650
flat angles P-C4'-P energy: -48.916
tors. eta vs tors. theta energy: -79.425
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: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -865.453326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.453326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.453326 (E_RNA)
where:
Base-Base interactions energy: -596.769
where: short stacking energy: -258.069
Base-Backbone interact. energy: 1.594
local terms energy: -270.278596
where:
bonds (distance) C4'-P energy: -46.397
bonds (distance) P-C4' energy: -59.126
flat angles C4'-P-C4' energy: -69.245
flat angles P-C4'-P energy: -35.508
tors. eta vs tors. theta energy: -60.004
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: 10, replica: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -574.654833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.654833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.654833 (E_RNA)
where:
Base-Base interactions energy: -338.650
where: short stacking energy: -164.850
Base-Backbone interact. energy: 0.501
local terms energy: -236.506641
where:
bonds (distance) C4'-P energy: -56.842
bonds (distance) P-C4' energy: -66.259
flat angles C4'-P-C4' energy: -66.055
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -10.449
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: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1479.677020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.677020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.677020 (E_RNA)
where:
Base-Base interactions energy: -1067.542
where: short stacking energy: -428.366
Base-Backbone interact. energy: 0.126
local terms energy: -412.261216
where:
bonds (distance) C4'-P energy: -78.634
bonds (distance) P-C4' energy: -75.983
flat angles C4'-P-C4' energy: -80.558
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -124.193
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: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1348.133018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.133018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.133018 (E_RNA)
where:
Base-Base interactions energy: -941.365
where: short stacking energy: -401.525
Base-Backbone interact. energy: -2.127
local terms energy: -404.640820
where:
bonds (distance) C4'-P energy: -61.361
bonds (distance) P-C4' energy: -81.976
flat angles C4'-P-C4' energy: -87.148
flat angles P-C4'-P energy: -52.285
tors. eta vs tors. theta energy: -121.872
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: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1346.459575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.459575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.459575 (E_RNA)
where:
Base-Base interactions energy: -976.559
where: short stacking energy: -395.267
Base-Backbone interact. energy: -0.642
local terms energy: -369.259277
where:
bonds (distance) C4'-P energy: -70.587
bonds (distance) P-C4' energy: -61.740
flat angles C4'-P-C4' energy: -83.352
flat angles P-C4'-P energy: -48.593
tors. eta vs tors. theta energy: -104.987
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: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1268.934734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.934734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.934734 (E_RNA)
where:
Base-Base interactions energy: -896.109
where: short stacking energy: -376.336
Base-Backbone interact. energy: -1.301
local terms energy: -371.525609
where:
bonds (distance) C4'-P energy: -70.852
bonds (distance) P-C4' energy: -62.439
flat angles C4'-P-C4' energy: -83.160
flat angles P-C4'-P energy: -54.453
tors. eta vs tors. theta energy: -100.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1239.189086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.189086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.189086 (E_RNA)
where:
Base-Base interactions energy: -892.829
where: short stacking energy: -382.147
Base-Backbone interact. energy: -1.145
local terms energy: -345.215130
where:
bonds (distance) C4'-P energy: -63.331
bonds (distance) P-C4' energy: -60.773
flat angles C4'-P-C4' energy: -71.514
flat angles P-C4'-P energy: -44.473
tors. eta vs tors. theta energy: -105.125
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: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1121.129774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.129774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.129774 (E_RNA)
where:
Base-Base interactions energy: -776.349
where: short stacking energy: -324.265
Base-Backbone interact. energy: -1.545
local terms energy: -343.235494
where:
bonds (distance) C4'-P energy: -69.979
bonds (distance) P-C4' energy: -68.581
flat angles C4'-P-C4' energy: -67.096
flat angles P-C4'-P energy: -51.209
tors. eta vs tors. theta energy: -86.371
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: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1108.928745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.928745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.928745 (E_RNA)
where:
Base-Base interactions energy: -766.738
where: short stacking energy: -320.510
Base-Backbone interact. energy: -0.167
local terms energy: -342.023649
where:
bonds (distance) C4'-P energy: -70.580
bonds (distance) P-C4' energy: -64.782
flat angles C4'-P-C4' energy: -73.603
flat angles P-C4'-P energy: -45.828
tors. eta vs tors. theta energy: -87.231
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: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1029.203188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.203188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.203188 (E_RNA)
where:
Base-Base interactions energy: -721.096
where: short stacking energy: -302.026
Base-Backbone interact. energy: -0.341
local terms energy: -307.766788
where:
bonds (distance) C4'-P energy: -52.473
bonds (distance) P-C4' energy: -72.561
flat angles C4'-P-C4' energy: -64.696
flat angles P-C4'-P energy: -33.612
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: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -877.644759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.644759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.644759 (E_RNA)
where:
Base-Base interactions energy: -603.940
where: short stacking energy: -257.324
Base-Backbone interact. energy: 0.293
local terms energy: -273.998220
where:
bonds (distance) C4'-P energy: -64.141
bonds (distance) P-C4' energy: -56.125
flat angles C4'-P-C4' energy: -59.095
flat angles P-C4'-P energy: -35.617
tors. eta vs tors. theta energy: -59.020
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: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -567.022800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.022800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.022800 (E_RNA)
where:
Base-Base interactions energy: -348.725
where: short stacking energy: -154.096
Base-Backbone interact. energy: 0.076
local terms energy: -218.372949
where:
bonds (distance) C4'-P energy: -39.787
bonds (distance) P-C4' energy: -55.434
flat angles C4'-P-C4' energy: -55.880
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -21.631
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: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1476.486427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.486427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.486427 (E_RNA)
where:
Base-Base interactions energy: -1055.569
where: short stacking energy: -433.632
Base-Backbone interact. energy: -0.318
local terms energy: -420.598885
where:
bonds (distance) C4'-P energy: -75.520
bonds (distance) P-C4' energy: -71.339
flat angles C4'-P-C4' energy: -83.112
flat angles P-C4'-P energy: -59.755
tors. eta vs tors. theta energy: -130.873
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: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1338.646032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.646032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.646032 (E_RNA)
where:
Base-Base interactions energy: -951.547
where: short stacking energy: -415.786
Base-Backbone interact. energy: -1.513
local terms energy: -385.586238
where:
bonds (distance) C4'-P energy: -72.042
bonds (distance) P-C4' energy: -66.646
flat angles C4'-P-C4' energy: -81.661
flat angles P-C4'-P energy: -55.486
tors. eta vs tors. theta energy: -109.752
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: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1336.997471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.997471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.997471 (E_RNA)
where:
Base-Base interactions energy: -963.932
where: short stacking energy: -388.802
Base-Backbone interact. energy: 0.241
local terms energy: -373.305967
where:
bonds (distance) C4'-P energy: -70.293
bonds (distance) P-C4' energy: -61.426
flat angles C4'-P-C4' energy: -86.360
flat angles P-C4'-P energy: -50.694
tors. eta vs tors. theta energy: -104.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1264.262221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.262221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.262221 (E_RNA)
where:
Base-Base interactions energy: -890.342
where: short stacking energy: -384.662
Base-Backbone interact. energy: -0.135
local terms energy: -373.785557
where:
bonds (distance) C4'-P energy: -71.784
bonds (distance) P-C4' energy: -63.951
flat angles C4'-P-C4' energy: -78.924
flat angles P-C4'-P energy: -56.222
tors. eta vs tors. theta energy: -102.905
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: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1237.449544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.449544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.449544 (E_RNA)
where:
Base-Base interactions energy: -881.965
where: short stacking energy: -365.013
Base-Backbone interact. energy: 0.382
local terms energy: -355.867456
where:
bonds (distance) C4'-P energy: -66.774
bonds (distance) P-C4' energy: -70.480
flat angles C4'-P-C4' energy: -71.093
flat angles P-C4'-P energy: -46.916
tors. eta vs tors. theta energy: -100.605
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: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1179.688024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.688024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.688024 (E_RNA)
where:
Base-Base interactions energy: -816.820
where: short stacking energy: -349.467
Base-Backbone interact. energy: -1.633
local terms energy: -361.234897
where:
bonds (distance) C4'-P energy: -70.518
bonds (distance) P-C4' energy: -65.136
flat angles C4'-P-C4' energy: -71.666
flat angles P-C4'-P energy: -48.321
tors. eta vs tors. theta energy: -105.594
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: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1051.571668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.571668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.571668 (E_RNA)
where:
Base-Base interactions energy: -735.829
where: short stacking energy: -322.731
Base-Backbone interact. energy: 0.881
local terms energy: -316.624129
where:
bonds (distance) C4'-P energy: -61.784
bonds (distance) P-C4' energy: -65.401
flat angles C4'-P-C4' energy: -76.956
flat angles P-C4'-P energy: -36.265
tors. eta vs tors. theta energy: -76.219
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: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1009.585509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.585509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.585509 (E_RNA)
where:
Base-Base interactions energy: -708.675
where: short stacking energy: -297.961
Base-Backbone interact. energy: 0.288
local terms energy: -301.198829
where:
bonds (distance) C4'-P energy: -56.969
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -69.196
flat angles P-C4'-P energy: -42.380
tors. eta vs tors. theta energy: -75.431
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: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -916.481811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.481811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.481811 (E_RNA)
where:
Base-Base interactions energy: -642.527
where: short stacking energy: -267.168
Base-Backbone interact. energy: -0.993
local terms energy: -272.962178
where:
bonds (distance) C4'-P energy: -52.144
bonds (distance) P-C4' energy: -57.043
flat angles C4'-P-C4' energy: -65.456
flat angles P-C4'-P energy: -38.862
tors. eta vs tors. theta energy: -59.457
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: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -568.365087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.365087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.365087 (E_RNA)
where:
Base-Base interactions energy: -335.661
where: short stacking energy: -170.510
Base-Backbone interact. energy: -2.973
local terms energy: -229.731012
where:
bonds (distance) C4'-P energy: -59.978
bonds (distance) P-C4' energy: -55.160
flat angles C4'-P-C4' energy: -58.168
flat angles P-C4'-P energy: -29.988
tors. eta vs tors. theta energy: -26.437
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: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1483.898652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.898652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.898652 (E_RNA)
where:
Base-Base interactions energy: -1057.182
where: short stacking energy: -443.004
Base-Backbone interact. energy: -1.032
local terms energy: -425.684346
where:
bonds (distance) C4'-P energy: -69.461
bonds (distance) P-C4' energy: -78.380
flat angles C4'-P-C4' energy: -92.227
flat angles P-C4'-P energy: -60.219
tors. eta vs tors. theta energy: -125.398
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: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1352.700244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.700244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.700244 (E_RNA)
where:
Base-Base interactions energy: -951.767
where: short stacking energy: -407.860
Base-Backbone interact. energy: 1.294
local terms energy: -402.227788
where:
bonds (distance) C4'-P energy: -72.835
bonds (distance) P-C4' energy: -77.627
flat angles C4'-P-C4' energy: -85.533
flat angles P-C4'-P energy: -58.599
tors. eta vs tors. theta energy: -107.635
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: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1332.949984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.949984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.949984 (E_RNA)
where:
Base-Base interactions energy: -964.444
where: short stacking energy: -382.498
Base-Backbone interact. energy: -2.044
local terms energy: -366.462450
where:
bonds (distance) C4'-P energy: -69.691
bonds (distance) P-C4' energy: -55.282
flat angles C4'-P-C4' energy: -83.831
flat angles P-C4'-P energy: -61.074
tors. eta vs tors. theta energy: -96.584
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: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1278.894918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.894918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.894918 (E_RNA)
where:
Base-Base interactions energy: -897.843
where: short stacking energy: -392.252
Base-Backbone interact. energy: -0.447
local terms energy: -380.605353
where:
bonds (distance) C4'-P energy: -72.208
bonds (distance) P-C4' energy: -65.870
flat angles C4'-P-C4' energy: -77.826
flat angles P-C4'-P energy: -52.965
tors. eta vs tors. theta energy: -111.736
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: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1254.451285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.451285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.451285 (E_RNA)
where:
Base-Base interactions energy: -890.430
where: short stacking energy: -379.288
Base-Backbone interact. energy: 0.028
local terms energy: -364.048756
where:
bonds (distance) C4'-P energy: -69.348
bonds (distance) P-C4' energy: -70.135
flat angles C4'-P-C4' energy: -80.564
flat angles P-C4'-P energy: -45.708
tors. eta vs tors. theta energy: -98.294
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: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1117.608235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.608235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.608235 (E_RNA)
where:
Base-Base interactions energy: -792.443
where: short stacking energy: -349.141
Base-Backbone interact. energy: -0.037
local terms energy: -325.128995
where:
bonds (distance) C4'-P energy: -55.636
bonds (distance) P-C4' energy: -54.718
flat angles C4'-P-C4' energy: -64.828
flat angles P-C4'-P energy: -47.280
tors. eta vs tors. theta energy: -102.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1119.011478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.011478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.011478 (E_RNA)
where:
Base-Base interactions energy: -770.826
where: short stacking energy: -318.753
Base-Backbone interact. energy: -0.837
local terms energy: -347.348553
where:
bonds (distance) C4'-P energy: -57.284
bonds (distance) P-C4' energy: -81.325
flat angles C4'-P-C4' energy: -76.818
flat angles P-C4'-P energy: -41.613
tors. eta vs tors. theta energy: -90.308
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: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1026.835352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.835352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.835352 (E_RNA)
where:
Base-Base interactions energy: -720.681
where: short stacking energy: -308.656
Base-Backbone interact. energy: 1.797
local terms energy: -307.951872
where:
bonds (distance) C4'-P energy: -59.878
bonds (distance) P-C4' energy: -63.987
flat angles C4'-P-C4' energy: -62.530
flat angles P-C4'-P energy: -40.691
tors. eta vs tors. theta energy: -80.866
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: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -928.855357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.855357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.855357 (E_RNA)
where:
Base-Base interactions energy: -650.091
where: short stacking energy: -267.106
Base-Backbone interact. energy: 0.503
local terms energy: -279.267749
where:
bonds (distance) C4'-P energy: -53.263
bonds (distance) P-C4' energy: -66.009
flat angles C4'-P-C4' energy: -57.718
flat angles P-C4'-P energy: -43.776
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: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -600.225304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.225304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.225304 (E_RNA)
where:
Base-Base interactions energy: -380.842
where: short stacking energy: -177.510
Base-Backbone interact. energy: -0.487
local terms energy: -218.896139
where:
bonds (distance) C4'-P energy: -55.674
bonds (distance) P-C4' energy: -48.956
flat angles C4'-P-C4' energy: -50.064
flat angles P-C4'-P energy: -42.773
tors. eta vs tors. theta energy: -21.429
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: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1482.660271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.660271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.660271 (E_RNA)
where:
Base-Base interactions energy: -1055.235
where: short stacking energy: -429.335
Base-Backbone interact. energy: 0.173
local terms energy: -427.598163
where:
bonds (distance) C4'-P energy: -76.082
bonds (distance) P-C4' energy: -75.217
flat angles C4'-P-C4' energy: -90.429
flat angles P-C4'-P energy: -64.529
tors. eta vs tors. theta energy: -121.342
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: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1359.161652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.161652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.161652 (E_RNA)
where:
Base-Base interactions energy: -965.901
where: short stacking energy: -399.321
Base-Backbone interact. energy: 0.455
local terms energy: -393.715655
where:
bonds (distance) C4'-P energy: -70.123
bonds (distance) P-C4' energy: -68.910
flat angles C4'-P-C4' energy: -80.067
flat angles P-C4'-P energy: -58.530
tors. eta vs tors. theta energy: -116.085
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: 423
Temperature: 1.000000
Total energy: -1323.637223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.637223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.637223 (E_RNA)
where:
Base-Base interactions energy: -948.171
where: short stacking energy: -384.789
Base-Backbone interact. energy: -3.082
local terms energy: -372.383951
where:
bonds (distance) C4'-P energy: -61.187
bonds (distance) P-C4' energy: -69.837
flat angles C4'-P-C4' energy: -83.437
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: -105.316
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: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1264.458211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.458211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.458211 (E_RNA)
where:
Base-Base interactions energy: -890.027
where: short stacking energy: -387.300
Base-Backbone interact. energy: -1.004
local terms energy: -373.427241
where:
bonds (distance) C4'-P energy: -76.095
bonds (distance) P-C4' energy: -66.824
flat angles C4'-P-C4' energy: -86.806
flat angles P-C4'-P energy: -43.991
tors. eta vs tors. theta energy: -99.711
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: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1253.384627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.384627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.384627 (E_RNA)
where:
Base-Base interactions energy: -880.135
where: short stacking energy: -369.501
Base-Backbone interact. energy: -1.141
local terms energy: -372.108089
where:
bonds (distance) C4'-P energy: -59.034
bonds (distance) P-C4' energy: -78.630
flat angles C4'-P-C4' energy: -81.441
flat angles P-C4'-P energy: -47.642
tors. eta vs tors. theta energy: -105.361
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: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1130.886069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.886069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.886069 (E_RNA)
where:
Base-Base interactions energy: -792.068
where: short stacking energy: -354.899
Base-Backbone interact. energy: -1.113
local terms energy: -337.704559
where:
bonds (distance) C4'-P energy: -68.277
bonds (distance) P-C4' energy: -69.228
flat angles C4'-P-C4' energy: -74.765
flat angles P-C4'-P energy: -34.586
tors. eta vs tors. theta energy: -90.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1072.493074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.493074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.493074 (E_RNA)
where:
Base-Base interactions energy: -728.517
where: short stacking energy: -311.600
Base-Backbone interact. energy: 1.070
local terms energy: -345.046320
where:
bonds (distance) C4'-P energy: -62.810
bonds (distance) P-C4' energy: -67.550
flat angles C4'-P-C4' energy: -76.605
flat angles P-C4'-P energy: -57.235
tors. eta vs tors. theta energy: -80.846
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: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1043.028936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.028936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.028936 (E_RNA)
where:
Base-Base interactions energy: -722.713
where: short stacking energy: -320.076
Base-Backbone interact. energy: -2.303
local terms energy: -318.012668
where:
bonds (distance) C4'-P energy: -54.361
bonds (distance) P-C4' energy: -58.130
flat angles C4'-P-C4' energy: -68.348
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: -89.534
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: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -947.947500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.947500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.947500 (E_RNA)
where:
Base-Base interactions energy: -652.434
where: short stacking energy: -269.008
Base-Backbone interact. energy: 1.992
local terms energy: -297.505136
where:
bonds (distance) C4'-P energy: -63.436
bonds (distance) P-C4' energy: -64.937
flat angles C4'-P-C4' energy: -67.715
flat angles P-C4'-P energy: -34.888
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: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -624.221613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.221613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.221613 (E_RNA)
where:
Base-Base interactions energy: -399.665
where: short stacking energy: -199.946
Base-Backbone interact. energy: -1.175
local terms energy: -223.381299
where:
bonds (distance) C4'-P energy: -55.434
bonds (distance) P-C4' energy: -40.686
flat angles C4'-P-C4' energy: -52.497
flat angles P-C4'-P energy: -44.506
tors. eta vs tors. theta energy: -30.259
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: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1485.654274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.654274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.654274 (E_RNA)
where:
Base-Base interactions energy: -1073.729
where: short stacking energy: -450.645
Base-Backbone interact. energy: -0.273
local terms energy: -411.652837
where:
bonds (distance) C4'-P energy: -74.597
bonds (distance) P-C4' energy: -75.567
flat angles C4'-P-C4' energy: -87.421
flat angles P-C4'-P energy: -48.350
tors. eta vs tors. theta energy: -125.717
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: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1340.062170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.062170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.062170 (E_RNA)
where:
Base-Base interactions energy: -945.076
where: short stacking energy: -399.553
Base-Backbone interact. energy: -0.797
local terms energy: -394.189166
where:
bonds (distance) C4'-P energy: -71.584
bonds (distance) P-C4' energy: -72.924
flat angles C4'-P-C4' energy: -75.634
flat angles P-C4'-P energy: -57.540
tors. eta vs tors. theta energy: -116.508
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: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1311.089806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.089806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.089806 (E_RNA)
where:
Base-Base interactions energy: -944.994
where: short stacking energy: -356.101
Base-Backbone interact. energy: 0.641
local terms energy: -366.736600
where:
bonds (distance) C4'-P energy: -57.283
bonds (distance) P-C4' energy: -65.401
flat angles C4'-P-C4' energy: -83.504
flat angles P-C4'-P energy: -58.006
tors. eta vs tors. theta energy: -102.542
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: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1251.911156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.911156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.911156 (E_RNA)
where:
Base-Base interactions energy: -880.074
where: short stacking energy: -372.392
Base-Backbone interact. energy: -1.011
local terms energy: -370.825553
where:
bonds (distance) C4'-P energy: -76.810
bonds (distance) P-C4' energy: -62.916
flat angles C4'-P-C4' energy: -79.485
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: -100.222
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: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1260.247925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.247925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.247925 (E_RNA)
where:
Base-Base interactions energy: -881.517
where: short stacking energy: -378.557
Base-Backbone interact. energy: -0.374
local terms energy: -378.357430
where:
bonds (distance) C4'-P energy: -65.193
bonds (distance) P-C4' energy: -68.398
flat angles C4'-P-C4' energy: -80.704
flat angles P-C4'-P energy: -58.314
tors. eta vs tors. theta energy: -105.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1129.222009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.222009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.222009 (E_RNA)
where:
Base-Base interactions energy: -783.287
where: short stacking energy: -327.587
Base-Backbone interact. energy: -1.513
local terms energy: -344.422831
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -66.172
flat angles C4'-P-C4' energy: -74.099
flat angles P-C4'-P energy: -61.246
tors. eta vs tors. theta energy: -95.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1095.023836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.023836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.023836 (E_RNA)
where:
Base-Base interactions energy: -771.946
where: short stacking energy: -332.057
Base-Backbone interact. energy: 1.311
local terms energy: -324.388695
where:
bonds (distance) C4'-P energy: -61.557
bonds (distance) P-C4' energy: -65.523
flat angles C4'-P-C4' energy: -75.109
flat angles P-C4'-P energy: -34.205
tors. eta vs tors. theta energy: -87.994
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: 424
Temperature: 1.250000
Total energy: -997.368646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.368646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.368646 (E_RNA)
where:
Base-Base interactions energy: -691.866
where: short stacking energy: -303.558
Base-Backbone interact. energy: -1.555
local terms energy: -303.947518
where:
bonds (distance) C4'-P energy: -49.377
bonds (distance) P-C4' energy: -69.308
flat angles C4'-P-C4' energy: -63.047
flat angles P-C4'-P energy: -45.122
tors. eta vs tors. theta energy: -77.095
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: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -971.284746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.284746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.284746 (E_RNA)
where:
Base-Base interactions energy: -668.438
where: short stacking energy: -286.521
Base-Backbone interact. energy: -1.038
local terms energy: -301.809017
where:
bonds (distance) C4'-P energy: -57.225
bonds (distance) P-C4' energy: -50.725
flat angles C4'-P-C4' energy: -77.722
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -69.368
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: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -558.274909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.274909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.274909 (E_RNA)
where:
Base-Base interactions energy: -348.026
where: short stacking energy: -156.406
Base-Backbone interact. energy: 0.119
local terms energy: -210.368085
where:
bonds (distance) C4'-P energy: -55.639
bonds (distance) P-C4' energy: -63.755
flat angles C4'-P-C4' energy: -47.042
flat angles P-C4'-P energy: -26.266
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1469.811032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.811032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.811032 (E_RNA)
where:
Base-Base interactions energy: -1050.841
where: short stacking energy: -431.581
Base-Backbone interact. energy: 0.250
local terms energy: -419.220412
where:
bonds (distance) C4'-P energy: -76.161
bonds (distance) P-C4' energy: -79.384
flat angles C4'-P-C4' energy: -86.708
flat angles P-C4'-P energy: -55.594
tors. eta vs tors. theta energy: -121.373
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: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1338.028416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.028416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.028416 (E_RNA)
where:
Base-Base interactions energy: -937.412
where: short stacking energy: -397.201
Base-Backbone interact. energy: 0.690
local terms energy: -401.306089
where:
bonds (distance) C4'-P energy: -67.750
bonds (distance) P-C4' energy: -71.137
flat angles C4'-P-C4' energy: -84.792
flat angles P-C4'-P energy: -60.466
tors. eta vs tors. theta energy: -117.161
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: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1319.664811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.664811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.664811 (E_RNA)
where:
Base-Base interactions energy: -942.355
where: short stacking energy: -382.385
Base-Backbone interact. energy: 0.533
local terms energy: -377.843019
where:
bonds (distance) C4'-P energy: -65.888
bonds (distance) P-C4' energy: -71.862
flat angles C4'-P-C4' energy: -81.431
flat angles P-C4'-P energy: -55.930
tors. eta vs tors. theta energy: -102.732
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: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1285.183266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.183266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.183266 (E_RNA)
where:
Base-Base interactions energy: -917.847
where: short stacking energy: -386.947
Base-Backbone interact. energy: -1.670
local terms energy: -365.665678
where:
bonds (distance) C4'-P energy: -69.742
bonds (distance) P-C4' energy: -64.204
flat angles C4'-P-C4' energy: -70.996
flat angles P-C4'-P energy: -51.569
tors. eta vs tors. theta energy: -109.155
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: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1243.563598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.563598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.563598 (E_RNA)
where:
Base-Base interactions energy: -874.357
where: short stacking energy: -372.526
Base-Backbone interact. energy: -0.721
local terms energy: -368.485897
where:
bonds (distance) C4'-P energy: -57.546
bonds (distance) P-C4' energy: -72.022
flat angles C4'-P-C4' energy: -83.743
flat angles P-C4'-P energy: -49.778
tors. eta vs tors. theta energy: -105.398
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: 425
Temperature: 1.150000
Total energy: -1103.049831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.049831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.049831 (E_RNA)
where:
Base-Base interactions energy: -775.816
where: short stacking energy: -323.115
Base-Backbone interact. energy: 0.091
local terms energy: -327.324760
where:
bonds (distance) C4'-P energy: -68.304
bonds (distance) P-C4' energy: -63.765
flat angles C4'-P-C4' energy: -73.784
flat angles P-C4'-P energy: -37.881
tors. eta vs tors. theta energy: -83.590
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: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1093.102672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.102672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.102672 (E_RNA)
where:
Base-Base interactions energy: -765.286
where: short stacking energy: -327.317
Base-Backbone interact. energy: -0.612
local terms energy: -327.204958
where:
bonds (distance) C4'-P energy: -66.784
bonds (distance) P-C4' energy: -67.085
flat angles C4'-P-C4' energy: -64.504
flat angles P-C4'-P energy: -36.938
tors. eta vs tors. theta energy: -91.894
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: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1014.809455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.809455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.809455 (E_RNA)
where:
Base-Base interactions energy: -703.555
where: short stacking energy: -279.879
Base-Backbone interact. energy: 0.141
local terms energy: -311.394970
where:
bonds (distance) C4'-P energy: -56.559
bonds (distance) P-C4' energy: -62.900
flat angles C4'-P-C4' energy: -71.536
flat angles P-C4'-P energy: -50.344
tors. eta vs tors. theta energy: -70.057
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: 425
Temperature: 1.300000
Total energy: -959.952878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.952878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.952878 (E_RNA)
where:
Base-Base interactions energy: -657.075
where: short stacking energy: -277.817
Base-Backbone interact. energy: -0.699
local terms energy: -302.179549
where:
bonds (distance) C4'-P energy: -56.409
bonds (distance) P-C4' energy: -64.004
flat angles C4'-P-C4' energy: -70.818
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: -71.315
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: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -558.850441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.850441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.850441 (E_RNA)
where:
Base-Base interactions energy: -334.226
where: short stacking energy: -168.856
Base-Backbone interact. energy: -1.058
local terms energy: -223.566722
where:
bonds (distance) C4'-P energy: -52.324
bonds (distance) P-C4' energy: -79.498
flat angles C4'-P-C4' energy: -53.917
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -13.414
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: 426
Temperature: 0.900000
Total energy: -1484.298014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.298014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.298014 (E_RNA)
where:
Base-Base interactions energy: -1047.449
where: short stacking energy: -449.892
Base-Backbone interact. energy: -0.975
local terms energy: -435.873350
where:
bonds (distance) C4'-P energy: -82.845
bonds (distance) P-C4' energy: -73.950
flat angles C4'-P-C4' energy: -92.693
flat angles P-C4'-P energy: -58.849
tors. eta vs tors. theta energy: -127.537
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: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1345.544147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.544147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.544147 (E_RNA)
where:
Base-Base interactions energy: -931.068
where: short stacking energy: -398.457
Base-Backbone interact. energy: -0.310
local terms energy: -414.165984
where:
bonds (distance) C4'-P energy: -79.800
bonds (distance) P-C4' energy: -74.635
flat angles C4'-P-C4' energy: -87.288
flat angles P-C4'-P energy: -53.579
tors. eta vs tors. theta energy: -118.864
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: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1305.580017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.580017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.580017 (E_RNA)
where:
Base-Base interactions energy: -921.998
where: short stacking energy: -379.884
Base-Backbone interact. energy: -0.702
local terms energy: -382.879408
where:
bonds (distance) C4'-P energy: -65.494
bonds (distance) P-C4' energy: -68.021
flat angles C4'-P-C4' energy: -87.260
flat angles P-C4'-P energy: -57.452
tors. eta vs tors. theta energy: -104.653
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: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1298.768184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.768184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.768184 (E_RNA)
where:
Base-Base interactions energy: -933.040
where: short stacking energy: -377.271
Base-Backbone interact. energy: -1.318
local terms energy: -364.409478
where:
bonds (distance) C4'-P energy: -63.777
bonds (distance) P-C4' energy: -69.371
flat angles C4'-P-C4' energy: -79.039
flat angles P-C4'-P energy: -50.955
tors. eta vs tors. theta energy: -101.267
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: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1243.369735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.369735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.369735 (E_RNA)
where:
Base-Base interactions energy: -879.280
where: short stacking energy: -392.576
Base-Backbone interact. energy: -0.575
local terms energy: -363.514121
where:
bonds (distance) C4'-P energy: -55.233
bonds (distance) P-C4' energy: -65.347
flat angles C4'-P-C4' energy: -79.110
flat angles P-C4'-P energy: -55.055
tors. eta vs tors. theta energy: -108.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1116.641775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.641775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.641775 (E_RNA)
where:
Base-Base interactions energy: -789.352
where: short stacking energy: -330.217
Base-Backbone interact. energy: 0.142
local terms energy: -327.431562
where:
bonds (distance) C4'-P energy: -58.750
bonds (distance) P-C4' energy: -65.014
flat angles C4'-P-C4' energy: -65.649
flat angles P-C4'-P energy: -50.657
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: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1041.244358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.244358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.244358 (E_RNA)
where:
Base-Base interactions energy: -736.172
where: short stacking energy: -310.493
Base-Backbone interact. energy: -0.876
local terms energy: -304.195510
where:
bonds (distance) C4'-P energy: -53.113
bonds (distance) P-C4' energy: -64.022
flat angles C4'-P-C4' energy: -65.503
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: -77.545
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: 8, replica: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1041.088921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.088921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.088921 (E_RNA)
where:
Base-Base interactions energy: -738.719
where: short stacking energy: -320.112
Base-Backbone interact. energy: -1.091
local terms energy: -301.278862
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -71.777
flat angles C4'-P-C4' energy: -64.409
flat angles P-C4'-P energy: -50.406
tors. eta vs tors. theta energy: -78.056
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: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -925.379355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.379355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.379355 (E_RNA)
where:
Base-Base interactions energy: -634.417
where: short stacking energy: -256.315
Base-Backbone interact. energy: -0.130
local terms energy: -290.832652
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -69.190
flat angles C4'-P-C4' energy: -71.984
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -56.712
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: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -592.183254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.183254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.183254 (E_RNA)
where:
Base-Base interactions energy: -350.282
where: short stacking energy: -193.651
Base-Backbone interact. energy: 3.480
local terms energy: -245.381759
where:
bonds (distance) C4'-P energy: -54.780
bonds (distance) P-C4' energy: -75.867
flat angles C4'-P-C4' energy: -43.611
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -32.395
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: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1497.422717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.422717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.422717 (E_RNA)
where:
Base-Base interactions energy: -1080.255
where: short stacking energy: -448.118
Base-Backbone interact. energy: -1.576
local terms energy: -415.591974
where:
bonds (distance) C4'-P energy: -72.765
bonds (distance) P-C4' energy: -68.982
flat angles C4'-P-C4' energy: -89.454
flat angles P-C4'-P energy: -58.372
tors. eta vs tors. theta energy: -126.019
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: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1349.036964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.036964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.036964 (E_RNA)
where:
Base-Base interactions energy: -944.104
where: short stacking energy: -407.643
Base-Backbone interact. energy: -1.243
local terms energy: -403.690384
where:
bonds (distance) C4'-P energy: -79.725
bonds (distance) P-C4' energy: -72.199
flat angles C4'-P-C4' energy: -85.397
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -111.882
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: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1289.633137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.633137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.633137 (E_RNA)
where:
Base-Base interactions energy: -906.981
where: short stacking energy: -390.794
Base-Backbone interact. energy: 0.416
local terms energy: -383.068153
where:
bonds (distance) C4'-P energy: -69.412
bonds (distance) P-C4' energy: -79.428
flat angles C4'-P-C4' energy: -81.754
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -106.205
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: 4, replica: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1311.787069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.787069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.787069 (E_RNA)
where:
Base-Base interactions energy: -940.922
where: short stacking energy: -381.211
Base-Backbone interact. energy: 3.935
local terms energy: -374.799647
where:
bonds (distance) C4'-P energy: -75.482
bonds (distance) P-C4' energy: -68.643
flat angles C4'-P-C4' energy: -77.290
flat angles P-C4'-P energy: -47.769
tors. eta vs tors. theta energy: -105.616
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: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1237.795393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.795393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.795393 (E_RNA)
where:
Base-Base interactions energy: -860.580
where: short stacking energy: -356.706
Base-Backbone interact. energy: 0.100
local terms energy: -377.315558
where:
bonds (distance) C4'-P energy: -71.747
bonds (distance) P-C4' energy: -59.330
flat angles C4'-P-C4' energy: -74.262
flat angles P-C4'-P energy: -59.257
tors. eta vs tors. theta energy: -112.719
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: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1124.432177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.432177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.432177 (E_RNA)
where:
Base-Base interactions energy: -792.994
where: short stacking energy: -333.246
Base-Backbone interact. energy: -1.369
local terms energy: -330.069007
where:
bonds (distance) C4'-P energy: -48.419
bonds (distance) P-C4' energy: -69.286
flat angles C4'-P-C4' energy: -73.871
flat angles P-C4'-P energy: -54.426
tors. eta vs tors. theta energy: -84.067
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: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1032.444938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.444938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.444938 (E_RNA)
where:
Base-Base interactions energy: -711.180
where: short stacking energy: -302.155
Base-Backbone interact. energy: -0.154
local terms energy: -321.110982
where:
bonds (distance) C4'-P energy: -68.739
bonds (distance) P-C4' energy: -70.826
flat angles C4'-P-C4' energy: -71.703
flat angles P-C4'-P energy: -40.493
tors. eta vs tors. theta energy: -69.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -934.523756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.523756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.523756 (E_RNA)
where:
Base-Base interactions energy: -649.494
where: short stacking energy: -277.170
Base-Backbone interact. energy: -1.836
local terms energy: -283.193977
where:
bonds (distance) C4'-P energy: -49.650
bonds (distance) P-C4' energy: -55.814
flat angles C4'-P-C4' energy: -68.876
flat angles P-C4'-P energy: -39.029
tors. eta vs tors. theta energy: -69.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -926.819979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.819979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.819979 (E_RNA)
where:
Base-Base interactions energy: -635.034
where: short stacking energy: -248.581
Base-Backbone interact. energy: -0.093
local terms energy: -291.692955
where:
bonds (distance) C4'-P energy: -63.225
bonds (distance) P-C4' energy: -55.425
flat angles C4'-P-C4' energy: -71.262
flat angles P-C4'-P energy: -38.431
tors. eta vs tors. theta energy: -63.349
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: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -535.685770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.685770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.685770 (E_RNA)
where:
Base-Base interactions energy: -314.264
where: short stacking energy: -170.566
Base-Backbone interact. energy: -0.862
local terms energy: -220.559943
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -67.067
flat angles C4'-P-C4' energy: -61.546
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -21.967
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: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1474.125278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.125278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.125278 (E_RNA)
where:
Base-Base interactions energy: -1068.487
where: short stacking energy: -442.447
Base-Backbone interact. energy: 0.031
local terms energy: -405.670066
where:
bonds (distance) C4'-P energy: -70.458
bonds (distance) P-C4' energy: -71.018
flat angles C4'-P-C4' energy: -90.072
flat angles P-C4'-P energy: -53.902
tors. eta vs tors. theta energy: -120.221
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: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1340.682563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.682563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.682563 (E_RNA)
where:
Base-Base interactions energy: -958.635
where: short stacking energy: -404.663
Base-Backbone interact. energy: 0.203
local terms energy: -382.250903
where:
bonds (distance) C4'-P energy: -60.928
bonds (distance) P-C4' energy: -71.004
flat angles C4'-P-C4' energy: -79.588
flat angles P-C4'-P energy: -46.416
tors. eta vs tors. theta energy: -124.315
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: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1306.874072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.874072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.874072 (E_RNA)
where:
Base-Base interactions energy: -940.587
where: short stacking energy: -364.467
Base-Backbone interact. energy: 0.397
local terms energy: -366.684032
where:
bonds (distance) C4'-P energy: -69.173
bonds (distance) P-C4' energy: -68.257
flat angles C4'-P-C4' energy: -82.079
flat angles P-C4'-P energy: -56.001
tors. eta vs tors. theta energy: -91.176
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: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1287.198704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.198704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.198704 (E_RNA)
where:
Base-Base interactions energy: -928.613
where: short stacking energy: -399.875
Base-Backbone interact. energy: -0.904
local terms energy: -357.681441
where:
bonds (distance) C4'-P energy: -74.734
bonds (distance) P-C4' energy: -60.610
flat angles C4'-P-C4' energy: -75.789
flat angles P-C4'-P energy: -43.619
tors. eta vs tors. theta energy: -102.930
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: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1236.912586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.912586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.912586 (E_RNA)
where:
Base-Base interactions energy: -880.747
where: short stacking energy: -377.687
Base-Backbone interact. energy: -0.958
local terms energy: -355.206897
where:
bonds (distance) C4'-P energy: -59.239
bonds (distance) P-C4' energy: -76.025
flat angles C4'-P-C4' energy: -77.055
flat angles P-C4'-P energy: -41.033
tors. eta vs tors. theta energy: -101.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1132.264268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.264268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.264268 (E_RNA)
where:
Base-Base interactions energy: -784.211
where: short stacking energy: -331.023
Base-Backbone interact. energy: 2.231
local terms energy: -350.284447
where:
bonds (distance) C4'-P energy: -70.356
bonds (distance) P-C4' energy: -64.608
flat angles C4'-P-C4' energy: -73.106
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -94.412
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: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1044.350468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.350468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.350468 (E_RNA)
where:
Base-Base interactions energy: -727.491
where: short stacking energy: -304.401
Base-Backbone interact. energy: 3.608
local terms energy: -320.467821
where:
bonds (distance) C4'-P energy: -61.658
bonds (distance) P-C4' energy: -58.431
flat angles C4'-P-C4' energy: -78.264
flat angles P-C4'-P energy: -41.749
tors. eta vs tors. theta energy: -80.367
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: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1044.009304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.009304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.009304 (E_RNA)
where:
Base-Base interactions energy: -747.948
where: short stacking energy: -334.110
Base-Backbone interact. energy: -2.169
local terms energy: -293.891930
where:
bonds (distance) C4'-P energy: -51.819
bonds (distance) P-C4' energy: -56.054
flat angles C4'-P-C4' energy: -68.315
flat angles P-C4'-P energy: -33.035
tors. eta vs tors. theta energy: -84.670
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: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -939.402923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.402923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.402923 (E_RNA)
where:
Base-Base interactions energy: -685.054
where: short stacking energy: -272.522
Base-Backbone interact. energy: -1.107
local terms energy: -253.242385
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -40.543
flat angles C4'-P-C4' energy: -67.201
flat angles P-C4'-P energy: -38.187
tors. eta vs tors. theta energy: -64.037
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: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -536.993888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.993888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.993888 (E_RNA)
where:
Base-Base interactions energy: -309.677
where: short stacking energy: -158.827
Base-Backbone interact. energy: -0.826
local terms energy: -226.490488
where:
bonds (distance) C4'-P energy: -58.847
bonds (distance) P-C4' energy: -69.778
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1475.859024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.859024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.859024 (E_RNA)
where:
Base-Base interactions energy: -1050.340
where: short stacking energy: -426.335
Base-Backbone interact. energy: -1.153
local terms energy: -424.366494
where:
bonds (distance) C4'-P energy: -82.983
bonds (distance) P-C4' energy: -68.962
flat angles C4'-P-C4' energy: -88.926
flat angles P-C4'-P energy: -61.126
tors. eta vs tors. theta energy: -122.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1359.934631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.934631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.934631 (E_RNA)
where:
Base-Base interactions energy: -969.793
where: short stacking energy: -399.835
Base-Backbone interact. energy: -1.781
local terms energy: -388.360620
where:
bonds (distance) C4'-P energy: -79.257
bonds (distance) P-C4' energy: -68.725
flat angles C4'-P-C4' energy: -77.534
flat angles P-C4'-P energy: -58.286
tors. eta vs tors. theta energy: -104.559
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: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1320.037798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.037798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.037798 (E_RNA)
where:
Base-Base interactions energy: -927.444
where: short stacking energy: -406.347
Base-Backbone interact. energy: -1.015
local terms energy: -391.578988
where:
bonds (distance) C4'-P energy: -72.783
bonds (distance) P-C4' energy: -75.759
flat angles C4'-P-C4' energy: -84.803
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -114.397
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: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1295.114843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.114843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.114843 (E_RNA)
where:
Base-Base interactions energy: -902.280
where: short stacking energy: -388.556
Base-Backbone interact. energy: -1.824
local terms energy: -391.010593
where:
bonds (distance) C4'-P energy: -74.656
bonds (distance) P-C4' energy: -72.520
flat angles C4'-P-C4' energy: -76.196
flat angles P-C4'-P energy: -50.804
tors. eta vs tors. theta energy: -116.834
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: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1226.673399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.673399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.673399 (E_RNA)
where:
Base-Base interactions energy: -854.203
where: short stacking energy: -340.886
Base-Backbone interact. energy: -2.711
local terms energy: -369.758775
where:
bonds (distance) C4'-P energy: -69.968
bonds (distance) P-C4' energy: -73.399
flat angles C4'-P-C4' energy: -88.489
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: -97.642
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: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1111.093452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.093452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.093452 (E_RNA)
where:
Base-Base interactions energy: -756.232
where: short stacking energy: -340.397
Base-Backbone interact. energy: -0.855
local terms energy: -354.006387
where:
bonds (distance) C4'-P energy: -66.645
bonds (distance) P-C4' energy: -63.994
flat angles C4'-P-C4' energy: -78.767
flat angles P-C4'-P energy: -50.836
tors. eta vs tors. theta energy: -93.763
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: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1066.628702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.628702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.628702 (E_RNA)
where:
Base-Base interactions energy: -739.921
where: short stacking energy: -292.605
Base-Backbone interact. energy: -2.935
local terms energy: -323.772034
where:
bonds (distance) C4'-P energy: -71.269
bonds (distance) P-C4' energy: -72.140
flat angles C4'-P-C4' energy: -64.569
flat angles P-C4'-P energy: -46.326
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: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1049.841022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.841022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.841022 (E_RNA)
where:
Base-Base interactions energy: -725.727
where: short stacking energy: -312.711
Base-Backbone interact. energy: -0.763
local terms energy: -323.351216
where:
bonds (distance) C4'-P energy: -61.650
bonds (distance) P-C4' energy: -75.638
flat angles C4'-P-C4' energy: -72.132
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -83.065
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: 429
Temperature: 1.300000
Total energy: -931.074336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.074336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.074336 (E_RNA)
where:
Base-Base interactions energy: -639.831
where: short stacking energy: -268.448
Base-Backbone interact. energy: -0.756
local terms energy: -290.487716
where:
bonds (distance) C4'-P energy: -67.365
bonds (distance) P-C4' energy: -55.538
flat angles C4'-P-C4' energy: -66.876
flat angles P-C4'-P energy: -40.540
tors. eta vs tors. theta energy: -60.169
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: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -521.530519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.530519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.530519 (E_RNA)
where:
Base-Base interactions energy: -295.478
where: short stacking energy: -152.102
Base-Backbone interact. energy: -0.960
local terms energy: -225.092892
where:
bonds (distance) C4'-P energy: -62.697
bonds (distance) P-C4' energy: -62.628
flat angles C4'-P-C4' energy: -48.607
flat angles P-C4'-P energy: -35.689
tors. eta vs tors. theta energy: -15.473
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: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1475.637628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.637628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.637628 (E_RNA)
where:
Base-Base interactions energy: -1049.532
where: short stacking energy: -432.757
Base-Backbone interact. energy: -1.275
local terms energy: -424.830647
where:
bonds (distance) C4'-P energy: -75.701
bonds (distance) P-C4' energy: -81.259
flat angles C4'-P-C4' energy: -83.875
flat angles P-C4'-P energy: -58.710
tors. eta vs tors. theta energy: -125.286
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: 430
Temperature: 0.950000
Total energy: -1368.253197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.253197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.253197 (E_RNA)
where:
Base-Base interactions energy: -982.662
where: short stacking energy: -403.837
Base-Backbone interact. energy: -1.133
local terms energy: -384.458275
where:
bonds (distance) C4'-P energy: -72.187
bonds (distance) P-C4' energy: -71.498
flat angles C4'-P-C4' energy: -72.398
flat angles P-C4'-P energy: -65.806
tors. eta vs tors. theta energy: -102.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1288.546293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.546293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.546293 (E_RNA)
where:
Base-Base interactions energy: -914.033
where: short stacking energy: -392.068
Base-Backbone interact. energy: -3.038
local terms energy: -371.475989
where:
bonds (distance) C4'-P energy: -55.327
bonds (distance) P-C4' energy: -70.087
flat angles C4'-P-C4' energy: -81.577
flat angles P-C4'-P energy: -52.021
tors. eta vs tors. theta energy: -112.464
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: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1269.180806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.180806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.180806 (E_RNA)
where:
Base-Base interactions energy: -897.556
where: short stacking energy: -386.227
Base-Backbone interact. energy: -0.701
local terms energy: -370.923969
where:
bonds (distance) C4'-P energy: -64.200
bonds (distance) P-C4' energy: -61.414
flat angles C4'-P-C4' energy: -87.172
flat angles P-C4'-P energy: -59.756
tors. eta vs tors. theta energy: -98.381
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: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1242.265640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.265640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.265640 (E_RNA)
where:
Base-Base interactions energy: -900.100
where: short stacking energy: -387.152
Base-Backbone interact. energy: -0.789
local terms energy: -341.377076
where:
bonds (distance) C4'-P energy: -58.389
bonds (distance) P-C4' energy: -62.693
flat angles C4'-P-C4' energy: -78.870
flat angles P-C4'-P energy: -43.478
tors. eta vs tors. theta energy: -97.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1091.907342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.907342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.907342 (E_RNA)
where:
Base-Base interactions energy: -742.327
where: short stacking energy: -341.767
Base-Backbone interact. energy: -1.136
local terms energy: -348.443818
where:
bonds (distance) C4'-P energy: -67.800
bonds (distance) P-C4' energy: -66.331
flat angles C4'-P-C4' energy: -69.143
flat angles P-C4'-P energy: -52.805
tors. eta vs tors. theta energy: -92.365
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: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1105.007898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.007898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.007898 (E_RNA)
where:
Base-Base interactions energy: -765.267
where: short stacking energy: -328.344
Base-Backbone interact. energy: -0.098
local terms energy: -339.643236
where:
bonds (distance) C4'-P energy: -66.374
bonds (distance) P-C4' energy: -65.586
flat angles C4'-P-C4' energy: -73.961
flat angles P-C4'-P energy: -43.233
tors. eta vs tors. theta energy: -90.490
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: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1037.159449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.159449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.159449 (E_RNA)
where:
Base-Base interactions energy: -727.600
where: short stacking energy: -308.027
Base-Backbone interact. energy: -1.264
local terms energy: -308.295681
where:
bonds (distance) C4'-P energy: -58.919
bonds (distance) P-C4' energy: -65.456
flat angles C4'-P-C4' energy: -62.496
flat angles P-C4'-P energy: -48.805
tors. eta vs tors. theta energy: -72.620
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: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -974.909079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.909079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.909079 (E_RNA)
where:
Base-Base interactions energy: -656.594
where: short stacking energy: -275.839
Base-Backbone interact. energy: -1.321
local terms energy: -316.993914
where:
bonds (distance) C4'-P energy: -62.725
bonds (distance) P-C4' energy: -68.426
flat angles C4'-P-C4' energy: -70.482
flat angles P-C4'-P energy: -47.765
tors. eta vs tors. theta energy: -67.597
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: 10, replica: 2
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -486.220873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.220873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.220873 (E_RNA)
where:
Base-Base interactions energy: -267.149
where: short stacking energy: -152.476
Base-Backbone interact. energy: -0.775
local terms energy: -218.296251
where:
bonds (distance) C4'-P energy: -44.340
bonds (distance) P-C4' energy: -64.833
flat angles C4'-P-C4' energy: -58.928
flat angles P-C4'-P energy: -33.014
tors. eta vs tors. theta energy: -17.181
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: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1481.677914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.677914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.677914 (E_RNA)
where:
Base-Base interactions energy: -1052.647
where: short stacking energy: -441.126
Base-Backbone interact. energy: -0.501
local terms energy: -428.529586
where:
bonds (distance) C4'-P energy: -82.272
bonds (distance) P-C4' energy: -75.515
flat angles C4'-P-C4' energy: -86.991
flat angles P-C4'-P energy: -57.428
tors. eta vs tors. theta energy: -126.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1379.166203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.166203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.166203 (E_RNA)
where:
Base-Base interactions energy: -996.393
where: short stacking energy: -403.411
Base-Backbone interact. energy: -1.116
local terms energy: -381.657172
where:
bonds (distance) C4'-P energy: -68.764
bonds (distance) P-C4' energy: -82.690
flat angles C4'-P-C4' energy: -68.588
flat angles P-C4'-P energy: -58.103
tors. eta vs tors. theta energy: -103.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1300.215480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.215480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.215480 (E_RNA)
where:
Base-Base interactions energy: -902.594
where: short stacking energy: -397.135
Base-Backbone interact. energy: -3.739
local terms energy: -393.882194
where:
bonds (distance) C4'-P energy: -68.328
bonds (distance) P-C4' energy: -75.719
flat angles C4'-P-C4' energy: -83.769
flat angles P-C4'-P energy: -56.631
tors. eta vs tors. theta energy: -109.435
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: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1266.650607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.650607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.650607 (E_RNA)
where:
Base-Base interactions energy: -894.776
where: short stacking energy: -376.664
Base-Backbone interact. energy: -0.890
local terms energy: -370.984034
where:
bonds (distance) C4'-P energy: -66.044
bonds (distance) P-C4' energy: -65.080
flat angles C4'-P-C4' energy: -78.134
flat angles P-C4'-P energy: -56.178
tors. eta vs tors. theta energy: -105.548
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: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1230.183798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.183798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.183798 (E_RNA)
where:
Base-Base interactions energy: -885.330
where: short stacking energy: -367.531
Base-Backbone interact. energy: 0.647
local terms energy: -345.501489
where:
bonds (distance) C4'-P energy: -54.189
bonds (distance) P-C4' energy: -68.824
flat angles C4'-P-C4' energy: -75.278
flat angles P-C4'-P energy: -43.705
tors. eta vs tors. theta energy: -103.506
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: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1098.573430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.573430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.573430 (E_RNA)
where:
Base-Base interactions energy: -776.639
where: short stacking energy: -327.503
Base-Backbone interact. energy: -0.397
local terms energy: -321.537581
where:
bonds (distance) C4'-P energy: -59.101
bonds (distance) P-C4' energy: -62.914
flat angles C4'-P-C4' energy: -79.490
flat angles P-C4'-P energy: -44.923
tors. eta vs tors. theta energy: -75.110
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: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1105.412458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.412458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.412458 (E_RNA)
where:
Base-Base interactions energy: -791.056
where: short stacking energy: -327.742
Base-Backbone interact. energy: -0.296
local terms energy: -314.059959
where:
bonds (distance) C4'-P energy: -46.953
bonds (distance) P-C4' energy: -59.391
flat angles C4'-P-C4' energy: -67.591
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -95.784
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: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -988.342480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.342480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.342480 (E_RNA)
where:
Base-Base interactions energy: -675.314
where: short stacking energy: -290.883
Base-Backbone interact. energy: 0.721
local terms energy: -313.750319
where:
bonds (distance) C4'-P energy: -66.506
bonds (distance) P-C4' energy: -69.154
flat angles C4'-P-C4' energy: -67.905
flat angles P-C4'-P energy: -27.469
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: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -931.391256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.391256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.391256 (E_RNA)
where:
Base-Base interactions energy: -655.991
where: short stacking energy: -252.487
Base-Backbone interact. energy: -1.797
local terms energy: -273.602921
where:
bonds (distance) C4'-P energy: -49.237
bonds (distance) P-C4' energy: -58.269
flat angles C4'-P-C4' energy: -67.281
flat angles P-C4'-P energy: -36.151
tors. eta vs tors. theta energy: -62.664
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: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -508.114350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.114350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.114350 (E_RNA)
where:
Base-Base interactions energy: -274.950
where: short stacking energy: -136.713
Base-Backbone interact. energy: -2.033
local terms energy: -231.131003
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -57.821
flat angles C4'-P-C4' energy: -60.222
flat angles P-C4'-P energy: -56.309
tors. eta vs tors. theta energy: -11.231
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: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1484.706644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.706644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.706644 (E_RNA)
where:
Base-Base interactions energy: -1059.145
where: short stacking energy: -435.938
Base-Backbone interact. energy: -1.334
local terms energy: -424.227804
where:
bonds (distance) C4'-P energy: -78.776
bonds (distance) P-C4' energy: -74.581
flat angles C4'-P-C4' energy: -91.142
flat angles P-C4'-P energy: -61.644
tors. eta vs tors. theta energy: -118.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1375.082142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.082142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.082142 (E_RNA)
where:
Base-Base interactions energy: -986.485
where: short stacking energy: -387.572
Base-Backbone interact. energy: -1.960
local terms energy: -386.637989
where:
bonds (distance) C4'-P energy: -66.656
bonds (distance) P-C4' energy: -83.279
flat angles C4'-P-C4' energy: -80.123
flat angles P-C4'-P energy: -54.517
tors. eta vs tors. theta energy: -102.063
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: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1320.423001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.423001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.423001 (E_RNA)
where:
Base-Base interactions energy: -925.467
where: short stacking energy: -398.237
Base-Backbone interact. energy: -0.802
local terms energy: -394.154175
where:
bonds (distance) C4'-P energy: -80.186
bonds (distance) P-C4' energy: -67.951
flat angles C4'-P-C4' energy: -81.437
flat angles P-C4'-P energy: -54.478
tors. eta vs tors. theta energy: -110.103
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: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1270.274153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.274153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.274153 (E_RNA)
where:
Base-Base interactions energy: -893.278
where: short stacking energy: -376.470
Base-Backbone interact. energy: -0.041
local terms energy: -376.955251
where:
bonds (distance) C4'-P energy: -69.317
bonds (distance) P-C4' energy: -71.206
flat angles C4'-P-C4' energy: -72.031
flat angles P-C4'-P energy: -56.563
tors. eta vs tors. theta energy: -107.837
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: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1250.646701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.646701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.646701 (E_RNA)
where:
Base-Base interactions energy: -883.163
where: short stacking energy: -375.042
Base-Backbone interact. energy: -0.115
local terms energy: -367.368862
where:
bonds (distance) C4'-P energy: -73.613
bonds (distance) P-C4' energy: -62.985
flat angles C4'-P-C4' energy: -76.475
flat angles P-C4'-P energy: -47.697
tors. eta vs tors. theta energy: -106.599
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: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1132.463076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.463076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.463076 (E_RNA)
where:
Base-Base interactions energy: -779.743
where: short stacking energy: -331.873
Base-Backbone interact. energy: -0.953
local terms energy: -351.766688
where:
bonds (distance) C4'-P energy: -74.049
bonds (distance) P-C4' energy: -66.361
flat angles C4'-P-C4' energy: -76.412
flat angles P-C4'-P energy: -40.442
tors. eta vs tors. theta energy: -94.503
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: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1080.645778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.645778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.645778 (E_RNA)
where:
Base-Base interactions energy: -750.030
where: short stacking energy: -301.732
Base-Backbone interact. energy: -0.185
local terms energy: -330.430946
where:
bonds (distance) C4'-P energy: -66.365
bonds (distance) P-C4' energy: -64.279
flat angles C4'-P-C4' energy: -68.550
flat angles P-C4'-P energy: -48.046
tors. eta vs tors. theta energy: -83.190
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: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -931.390523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.390523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.390523 (E_RNA)
where:
Base-Base interactions energy: -650.470
where: short stacking energy: -276.011
Base-Backbone interact. energy: 5.770
local terms energy: -286.691043
where:
bonds (distance) C4'-P energy: -62.405
bonds (distance) P-C4' energy: -60.633
flat angles C4'-P-C4' energy: -61.594
flat angles P-C4'-P energy: -38.474
tors. eta vs tors. theta energy: -63.585
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: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -863.877970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.877970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.877970 (E_RNA)
where:
Base-Base interactions energy: -584.365
where: short stacking energy: -243.051
Base-Backbone interact. energy: 0.444
local terms energy: -279.956718
where:
bonds (distance) C4'-P energy: -68.459
bonds (distance) P-C4' energy: -51.394
flat angles C4'-P-C4' energy: -61.560
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -63.727
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: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -517.102631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.102631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.102631 (E_RNA)
where:
Base-Base interactions energy: -303.414
where: short stacking energy: -161.447
Base-Backbone interact. energy: 4.802
local terms energy: -218.491123
where:
bonds (distance) C4'-P energy: -65.561
bonds (distance) P-C4' energy: -52.785
flat angles C4'-P-C4' energy: -59.503
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -8.044
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: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1468.502927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.502927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.502927 (E_RNA)
where:
Base-Base interactions energy: -1045.983
where: short stacking energy: -434.105
Base-Backbone interact. energy: -0.294
local terms energy: -422.225589
where:
bonds (distance) C4'-P energy: -75.011
bonds (distance) P-C4' energy: -84.099
flat angles C4'-P-C4' energy: -88.399
flat angles P-C4'-P energy: -51.591
tors. eta vs tors. theta energy: -123.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1346.098007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.098007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.098007 (E_RNA)
where:
Base-Base interactions energy: -983.312
where: short stacking energy: -392.480
Base-Backbone interact. energy: 0.919
local terms energy: -363.704821
where:
bonds (distance) C4'-P energy: -63.646
bonds (distance) P-C4' energy: -71.506
flat angles C4'-P-C4' energy: -81.643
flat angles P-C4'-P energy: -48.914
tors. eta vs tors. theta energy: -97.997
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: 433
Temperature: 1.000000
Total energy: -1320.351865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.351865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.351865 (E_RNA)
where:
Base-Base interactions energy: -927.907
where: short stacking energy: -400.823
Base-Backbone interact. energy: -0.994
local terms energy: -391.450324
where:
bonds (distance) C4'-P energy: -81.021
bonds (distance) P-C4' energy: -71.911
flat angles C4'-P-C4' energy: -72.731
flat angles P-C4'-P energy: -51.538
tors. eta vs tors. theta energy: -114.249
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: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1315.766681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.766681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.766681 (E_RNA)
where:
Base-Base interactions energy: -931.488
where: short stacking energy: -396.386
Base-Backbone interact. energy: 1.324
local terms energy: -385.602977
where:
bonds (distance) C4'-P energy: -70.801
bonds (distance) P-C4' energy: -78.894
flat angles C4'-P-C4' energy: -83.198
flat angles P-C4'-P energy: -41.328
tors. eta vs tors. theta energy: -111.382
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: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1241.565695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.565695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.565695 (E_RNA)
where:
Base-Base interactions energy: -858.359
where: short stacking energy: -357.366
Base-Backbone interact. energy: -1.035
local terms energy: -382.171471
where:
bonds (distance) C4'-P energy: -64.688
bonds (distance) P-C4' energy: -82.648
flat angles C4'-P-C4' energy: -73.864
flat angles P-C4'-P energy: -54.063
tors. eta vs tors. theta energy: -106.908
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: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1127.171072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.171072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.171072 (E_RNA)
where:
Base-Base interactions energy: -797.065
where: short stacking energy: -343.436
Base-Backbone interact. energy: 0.831
local terms energy: -330.937140
where:
bonds (distance) C4'-P energy: -59.674
bonds (distance) P-C4' energy: -70.896
flat angles C4'-P-C4' energy: -73.802
flat angles P-C4'-P energy: -38.811
tors. eta vs tors. theta energy: -87.754
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: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1051.795705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.795705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.795705 (E_RNA)
where:
Base-Base interactions energy: -720.274
where: short stacking energy: -298.340
Base-Backbone interact. energy: -1.233
local terms energy: -330.287968
where:
bonds (distance) C4'-P energy: -54.387
bonds (distance) P-C4' energy: -69.592
flat angles C4'-P-C4' energy: -82.286
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -76.443
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: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -945.220051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.220051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.220051 (E_RNA)
where:
Base-Base interactions energy: -666.767
where: short stacking energy: -262.212
Base-Backbone interact. energy: 0.367
local terms energy: -278.819582
where:
bonds (distance) C4'-P energy: -63.109
bonds (distance) P-C4' energy: -66.542
flat angles C4'-P-C4' energy: -60.054
flat angles P-C4'-P energy: -29.745
tors. eta vs tors. theta energy: -59.370
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: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -891.254047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.254047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.254047 (E_RNA)
where:
Base-Base interactions energy: -608.480
where: short stacking energy: -263.047
Base-Backbone interact. energy: -0.575
local terms energy: -282.199091
where:
bonds (distance) C4'-P energy: -65.675
bonds (distance) P-C4' energy: -54.150
flat angles C4'-P-C4' energy: -61.485
flat angles P-C4'-P energy: -46.416
tors. eta vs tors. theta energy: -54.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -509.301973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.301973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.301973 (E_RNA)
where:
Base-Base interactions energy: -274.916
where: short stacking energy: -141.590
Base-Backbone interact. energy: -0.948
local terms energy: -233.437842
where:
bonds (distance) C4'-P energy: -70.803
bonds (distance) P-C4' energy: -65.037
flat angles C4'-P-C4' energy: -57.900
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -18.817
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: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1489.603507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.603507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.603507 (E_RNA)
where:
Base-Base interactions energy: -1064.036
where: short stacking energy: -429.725
Base-Backbone interact. energy: -2.309
local terms energy: -423.259293
where:
bonds (distance) C4'-P energy: -81.855
bonds (distance) P-C4' energy: -72.713
flat angles C4'-P-C4' energy: -86.758
flat angles P-C4'-P energy: -56.118
tors. eta vs tors. theta energy: -125.815
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: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1344.950928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.950928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.950928 (E_RNA)
where:
Base-Base interactions energy: -967.754
where: short stacking energy: -394.594
Base-Backbone interact. energy: -0.661
local terms energy: -376.536242
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -62.559
flat angles C4'-P-C4' energy: -85.772
flat angles P-C4'-P energy: -50.221
tors. eta vs tors. theta energy: -114.027
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: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1322.243670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.243670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.243670 (E_RNA)
where:
Base-Base interactions energy: -949.828
where: short stacking energy: -403.581
Base-Backbone interact. energy: -0.536
local terms energy: -371.879163
where:
bonds (distance) C4'-P energy: -67.995
bonds (distance) P-C4' energy: -75.368
flat angles C4'-P-C4' energy: -77.487
flat angles P-C4'-P energy: -48.135
tors. eta vs tors. theta energy: -102.895
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: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1275.922226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.922226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.922226 (E_RNA)
where:
Base-Base interactions energy: -895.388
where: short stacking energy: -376.343
Base-Backbone interact. energy: -0.848
local terms energy: -379.686080
where:
bonds (distance) C4'-P energy: -68.328
bonds (distance) P-C4' energy: -77.740
flat angles C4'-P-C4' energy: -86.062
flat angles P-C4'-P energy: -46.545
tors. eta vs tors. theta energy: -101.010
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: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1255.629253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.629253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.629253 (E_RNA)
where:
Base-Base interactions energy: -890.900
where: short stacking energy: -356.034
Base-Backbone interact. energy: -0.688
local terms energy: -364.041625
where:
bonds (distance) C4'-P energy: -66.941
bonds (distance) P-C4' energy: -69.720
flat angles C4'-P-C4' energy: -79.034
flat angles P-C4'-P energy: -50.873
tors. eta vs tors. theta energy: -97.473
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: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1127.623975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.623975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.623975 (E_RNA)
where:
Base-Base interactions energy: -774.098
where: short stacking energy: -341.246
Base-Backbone interact. energy: -1.116
local terms energy: -352.410115
where:
bonds (distance) C4'-P energy: -61.750
bonds (distance) P-C4' energy: -58.627
flat angles C4'-P-C4' energy: -76.009
flat angles P-C4'-P energy: -59.182
tors. eta vs tors. theta energy: -96.842
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: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1065.394791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.394791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.394791 (E_RNA)
where:
Base-Base interactions energy: -753.378
where: short stacking energy: -302.029
Base-Backbone interact. energy: -1.665
local terms energy: -310.352548
where:
bonds (distance) C4'-P energy: -51.734
bonds (distance) P-C4' energy: -70.363
flat angles C4'-P-C4' energy: -79.764
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: -78.682
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: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -974.718554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.718554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.718554 (E_RNA)
where:
Base-Base interactions energy: -657.381
where: short stacking energy: -270.978
Base-Backbone interact. energy: -2.355
local terms energy: -314.981807
where:
bonds (distance) C4'-P energy: -62.778
bonds (distance) P-C4' energy: -73.731
flat angles C4'-P-C4' energy: -70.323
flat angles P-C4'-P energy: -43.483
tors. eta vs tors. theta energy: -64.667
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: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -879.165149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.165149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.165149 (E_RNA)
where:
Base-Base interactions energy: -585.861
where: short stacking energy: -244.234
Base-Backbone interact. energy: 0.347
local terms energy: -293.651215
where:
bonds (distance) C4'-P energy: -56.939
bonds (distance) P-C4' energy: -67.265
flat angles C4'-P-C4' energy: -63.231
flat angles P-C4'-P energy: -48.689
tors. eta vs tors. theta energy: -57.527
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: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -558.666241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.666241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.666241 (E_RNA)
where:
Base-Base interactions energy: -325.285
where: short stacking energy: -157.572
Base-Backbone interact. energy: 0.444
local terms energy: -233.824996
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -75.905
flat angles C4'-P-C4' energy: -58.792
flat angles P-C4'-P energy: -29.457
tors. eta vs tors. theta energy: -22.248
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: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1458.477143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.477143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.477143 (E_RNA)
where:
Base-Base interactions energy: -1042.789
where: short stacking energy: -429.894
Base-Backbone interact. energy: -0.630
local terms energy: -415.058330
where:
bonds (distance) C4'-P energy: -71.131
bonds (distance) P-C4' energy: -75.914
flat angles C4'-P-C4' energy: -85.534
flat angles P-C4'-P energy: -64.739
tors. eta vs tors. theta energy: -117.741
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: 435
Temperature: 0.950000
Total energy: -1343.346651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.346651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.346651 (E_RNA)
where:
Base-Base interactions energy: -959.441
where: short stacking energy: -401.526
Base-Backbone interact. energy: -0.801
local terms energy: -383.105155
where:
bonds (distance) C4'-P energy: -69.166
bonds (distance) P-C4' energy: -71.004
flat angles C4'-P-C4' energy: -81.914
flat angles P-C4'-P energy: -57.708
tors. eta vs tors. theta energy: -103.313
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1322.181367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.181367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.181367 (E_RNA)
where:
Base-Base interactions energy: -935.630
where: short stacking energy: -390.553
Base-Backbone interact. energy: -1.876
local terms energy: -384.675208
where:
bonds (distance) C4'-P energy: -70.648
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -78.155
flat angles P-C4'-P energy: -58.511
tors. eta vs tors. theta energy: -112.195
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: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1287.608712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.608712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.608712 (E_RNA)
where:
Base-Base interactions energy: -910.520
where: short stacking energy: -383.037
Base-Backbone interact. energy: -1.145
local terms energy: -375.943575
where:
bonds (distance) C4'-P energy: -59.080
bonds (distance) P-C4' energy: -71.696
flat angles C4'-P-C4' energy: -86.265
flat angles P-C4'-P energy: -53.957
tors. eta vs tors. theta energy: -104.945
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: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1236.753741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.753741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.753741 (E_RNA)
where:
Base-Base interactions energy: -870.800
where: short stacking energy: -356.586
Base-Backbone interact. energy: 1.120
local terms energy: -367.073142
where:
bonds (distance) C4'-P energy: -70.764
bonds (distance) P-C4' energy: -61.432
flat angles C4'-P-C4' energy: -82.266
flat angles P-C4'-P energy: -49.086
tors. eta vs tors. theta energy: -103.525
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: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1127.047595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.047595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.047595 (E_RNA)
where:
Base-Base interactions energy: -787.498
where: short stacking energy: -334.186
Base-Backbone interact. energy: -0.226
local terms energy: -339.323515
where:
bonds (distance) C4'-P energy: -44.678
bonds (distance) P-C4' energy: -64.710
flat angles C4'-P-C4' energy: -77.406
flat angles P-C4'-P energy: -56.350
tors. eta vs tors. theta energy: -96.179
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: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1071.794205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.794205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.794205 (E_RNA)
where:
Base-Base interactions energy: -751.854
where: short stacking energy: -313.529
Base-Backbone interact. energy: -2.314
local terms energy: -317.625873
where:
bonds (distance) C4'-P energy: -63.837
bonds (distance) P-C4' energy: -68.209
flat angles C4'-P-C4' energy: -64.928
flat angles P-C4'-P energy: -51.291
tors. eta vs tors. theta energy: -69.361
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: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -999.171603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.171603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.171603 (E_RNA)
where:
Base-Base interactions energy: -705.763
where: short stacking energy: -293.685
Base-Backbone interact. energy: -2.026
local terms energy: -291.382074
where:
bonds (distance) C4'-P energy: -58.638
bonds (distance) P-C4' energy: -55.446
flat angles C4'-P-C4' energy: -69.629
flat angles P-C4'-P energy: -35.881
tors. eta vs tors. theta energy: -71.789
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: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -893.719390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.719390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.719390 (E_RNA)
where:
Base-Base interactions energy: -598.884
where: short stacking energy: -253.402
Base-Backbone interact. energy: -1.738
local terms energy: -293.096998
where:
bonds (distance) C4'-P energy: -61.412
bonds (distance) P-C4' energy: -69.609
flat angles C4'-P-C4' energy: -63.742
flat angles P-C4'-P energy: -31.989
tors. eta vs tors. theta energy: -66.345
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: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -621.524287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.524287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.524287 (E_RNA)
where:
Base-Base interactions energy: -389.732
where: short stacking energy: -190.669
Base-Backbone interact. energy: -1.659
local terms energy: -230.132800
where:
bonds (distance) C4'-P energy: -62.275
bonds (distance) P-C4' energy: -59.698
flat angles C4'-P-C4' energy: -64.734
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -32.923
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: 436
Temperature: 0.900000
Total energy: -1460.854891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.854891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.854891 (E_RNA)
where:
Base-Base interactions energy: -1054.561
where: short stacking energy: -441.718
Base-Backbone interact. energy: 0.443
local terms energy: -406.736757
where:
bonds (distance) C4'-P energy: -66.542
bonds (distance) P-C4' energy: -65.021
flat angles C4'-P-C4' energy: -90.972
flat angles P-C4'-P energy: -59.973
tors. eta vs tors. theta energy: -124.227
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: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1357.505374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.505374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.505374 (E_RNA)
where:
Base-Base interactions energy: -970.442
where: short stacking energy: -398.215
Base-Backbone interact. energy: -2.254
local terms energy: -384.809687
where:
bonds (distance) C4'-P energy: -70.013
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -90.261
flat angles P-C4'-P energy: -46.733
tors. eta vs tors. theta energy: -104.772
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1332.433356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.433356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.433356 (E_RNA)
where:
Base-Base interactions energy: -943.138
where: short stacking energy: -393.822
Base-Backbone interact. energy: 0.114
local terms energy: -389.409055
where:
bonds (distance) C4'-P energy: -71.430
bonds (distance) P-C4' energy: -66.718
flat angles C4'-P-C4' energy: -80.283
flat angles P-C4'-P energy: -56.284
tors. eta vs tors. theta energy: -114.694
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: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1275.196480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.196480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.196480 (E_RNA)
where:
Base-Base interactions energy: -898.150
where: short stacking energy: -369.233
Base-Backbone interact. energy: 1.285
local terms energy: -378.331528
where:
bonds (distance) C4'-P energy: -67.793
bonds (distance) P-C4' energy: -80.420
flat angles C4'-P-C4' energy: -77.742
flat angles P-C4'-P energy: -49.985
tors. eta vs tors. theta energy: -102.391
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: 436
Temperature: 1.100000
Total energy: -1250.594701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.594701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.594701 (E_RNA)
where:
Base-Base interactions energy: -888.232
where: short stacking energy: -361.948
Base-Backbone interact. energy: -0.698
local terms energy: -361.665231
where:
bonds (distance) C4'-P energy: -69.383
bonds (distance) P-C4' energy: -72.145
flat angles C4'-P-C4' energy: -86.326
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -100.643
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: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1111.684918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.684918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.684918 (E_RNA)
where:
Base-Base interactions energy: -759.169
where: short stacking energy: -328.357
Base-Backbone interact. energy: -0.699
local terms energy: -351.816320
where:
bonds (distance) C4'-P energy: -65.308
bonds (distance) P-C4' energy: -61.144
flat angles C4'-P-C4' energy: -80.816
flat angles P-C4'-P energy: -42.561
tors. eta vs tors. theta energy: -101.988
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: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1086.506782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.506782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.506782 (E_RNA)
where:
Base-Base interactions energy: -743.486
where: short stacking energy: -314.938
Base-Backbone interact. energy: -3.275
local terms energy: -339.745947
where:
bonds (distance) C4'-P energy: -60.510
bonds (distance) P-C4' energy: -69.592
flat angles C4'-P-C4' energy: -76.314
flat angles P-C4'-P energy: -44.993
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: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -987.816049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.816049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.816049 (E_RNA)
where:
Base-Base interactions energy: -659.183
where: short stacking energy: -276.051
Base-Backbone interact. energy: -1.543
local terms energy: -327.090304
where:
bonds (distance) C4'-P energy: -58.224
bonds (distance) P-C4' energy: -68.316
flat angles C4'-P-C4' energy: -70.208
flat angles P-C4'-P energy: -56.105
tors. eta vs tors. theta energy: -74.237
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: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -848.059788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.059788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.059788 (E_RNA)
where:
Base-Base interactions energy: -584.350
where: short stacking energy: -238.456
Base-Backbone interact. energy: 2.093
local terms energy: -265.802770
where:
bonds (distance) C4'-P energy: -56.827
bonds (distance) P-C4' energy: -58.828
flat angles C4'-P-C4' energy: -44.301
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -53.090
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: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -594.079885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.079885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.079885 (E_RNA)
where:
Base-Base interactions energy: -351.543
where: short stacking energy: -170.304
Base-Backbone interact. energy: 0.721
local terms energy: -243.257791
where:
bonds (distance) C4'-P energy: -50.622
bonds (distance) P-C4' energy: -70.882
flat angles C4'-P-C4' energy: -59.947
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -35.086
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: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1471.536359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.536359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.536359 (E_RNA)
where:
Base-Base interactions energy: -1062.761
where: short stacking energy: -444.166
Base-Backbone interact. energy: -0.474
local terms energy: -408.301939
where:
bonds (distance) C4'-P energy: -65.147
bonds (distance) P-C4' energy: -79.457
flat angles C4'-P-C4' energy: -84.880
flat angles P-C4'-P energy: -55.078
tors. eta vs tors. theta energy: -123.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1360.042741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.042741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.042741 (E_RNA)
where:
Base-Base interactions energy: -946.099
where: short stacking energy: -402.828
Base-Backbone interact. energy: -1.679
local terms energy: -412.264090
where:
bonds (distance) C4'-P energy: -74.386
bonds (distance) P-C4' energy: -83.383
flat angles C4'-P-C4' energy: -86.811
flat angles P-C4'-P energy: -58.370
tors. eta vs tors. theta energy: -109.314
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: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1322.790155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.790155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.790155 (E_RNA)
where:
Base-Base interactions energy: -959.609
where: short stacking energy: -373.801
Base-Backbone interact. energy: -1.938
local terms energy: -361.242478
where:
bonds (distance) C4'-P energy: -56.253
bonds (distance) P-C4' energy: -79.327
flat angles C4'-P-C4' energy: -71.176
flat angles P-C4'-P energy: -53.873
tors. eta vs tors. theta energy: -100.613
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: 437
Temperature: 1.050000
Total energy: -1274.354513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.354513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.354513 (E_RNA)
where:
Base-Base interactions energy: -897.707
where: short stacking energy: -375.670
Base-Backbone interact. energy: -0.770
local terms energy: -375.877633
where:
bonds (distance) C4'-P energy: -67.838
bonds (distance) P-C4' energy: -65.074
flat angles C4'-P-C4' energy: -86.855
flat angles P-C4'-P energy: -49.450
tors. eta vs tors. theta energy: -106.661
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: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1266.973112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.973112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.973112 (E_RNA)
where:
Base-Base interactions energy: -901.026
where: short stacking energy: -375.338
Base-Backbone interact. energy: 0.015
local terms energy: -365.962397
where:
bonds (distance) C4'-P energy: -69.497
bonds (distance) P-C4' energy: -67.020
flat angles C4'-P-C4' energy: -78.086
flat angles P-C4'-P energy: -44.265
tors. eta vs tors. theta energy: -107.095
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: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1122.747046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.747046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.747046 (E_RNA)
where:
Base-Base interactions energy: -761.054
where: short stacking energy: -336.481
Base-Backbone interact. energy: -1.340
local terms energy: -360.353267
where:
bonds (distance) C4'-P energy: -60.646
bonds (distance) P-C4' energy: -74.277
flat angles C4'-P-C4' energy: -82.374
flat angles P-C4'-P energy: -49.075
tors. eta vs tors. theta energy: -93.981
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: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1111.800291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.800291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.800291 (E_RNA)
where:
Base-Base interactions energy: -790.566
where: short stacking energy: -350.116
Base-Backbone interact. energy: -1.655
local terms energy: -319.578964
where:
bonds (distance) C4'-P energy: -63.250
bonds (distance) P-C4' energy: -61.928
flat angles C4'-P-C4' energy: -70.588
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -86.589
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: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -975.295590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.295590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.295590 (E_RNA)
where:
Base-Base interactions energy: -658.644
where: short stacking energy: -259.024
Base-Backbone interact. energy: -1.163
local terms energy: -315.487722
where:
bonds (distance) C4'-P energy: -59.341
bonds (distance) P-C4' energy: -65.027
flat angles C4'-P-C4' energy: -70.350
flat angles P-C4'-P energy: -54.446
tors. eta vs tors. theta energy: -66.325
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: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -858.444214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.444214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.444214 (E_RNA)
where:
Base-Base interactions energy: -585.606
where: short stacking energy: -254.477
Base-Backbone interact. energy: -0.688
local terms energy: -272.149938
where:
bonds (distance) C4'-P energy: -48.708
bonds (distance) P-C4' energy: -53.033
flat angles C4'-P-C4' energy: -68.603
flat angles P-C4'-P energy: -48.232
tors. eta vs tors. theta energy: -53.574
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: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -626.042658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.042658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.042658 (E_RNA)
where:
Base-Base interactions energy: -376.218
where: short stacking energy: -160.539
Base-Backbone interact. energy: -1.506
local terms energy: -248.318963
where:
bonds (distance) C4'-P energy: -60.541
bonds (distance) P-C4' energy: -64.911
flat angles C4'-P-C4' energy: -55.949
flat angles P-C4'-P energy: -39.226
tors. eta vs tors. theta energy: -27.691
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: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1461.729879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.729879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.729879 (E_RNA)
where:
Base-Base interactions energy: -1052.786
where: short stacking energy: -430.137
Base-Backbone interact. energy: -1.032
local terms energy: -407.912190
where:
bonds (distance) C4'-P energy: -73.578
bonds (distance) P-C4' energy: -70.184
flat angles C4'-P-C4' energy: -89.628
flat angles P-C4'-P energy: -60.674
tors. eta vs tors. theta energy: -113.847
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: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1341.696287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.696287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.696287 (E_RNA)
where:
Base-Base interactions energy: -951.461
where: short stacking energy: -399.179
Base-Backbone interact. energy: -1.329
local terms energy: -388.906212
where:
bonds (distance) C4'-P energy: -74.334
bonds (distance) P-C4' energy: -64.594
flat angles C4'-P-C4' energy: -84.241
flat angles P-C4'-P energy: -52.918
tors. eta vs tors. theta energy: -112.819
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: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1341.168721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.168721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.168721 (E_RNA)
where:
Base-Base interactions energy: -964.755
where: short stacking energy: -377.257
Base-Backbone interact. energy: -0.885
local terms energy: -375.529070
where:
bonds (distance) C4'-P energy: -75.206
bonds (distance) P-C4' energy: -64.582
flat angles C4'-P-C4' energy: -81.176
flat angles P-C4'-P energy: -54.494
tors. eta vs tors. theta energy: -100.071
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: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1274.921252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.921252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.921252 (E_RNA)
where:
Base-Base interactions energy: -882.971
where: short stacking energy: -367.477
Base-Backbone interact. energy: -1.000
local terms energy: -390.950322
where:
bonds (distance) C4'-P energy: -72.828
bonds (distance) P-C4' energy: -77.026
flat angles C4'-P-C4' energy: -83.845
flat angles P-C4'-P energy: -47.112
tors. eta vs tors. theta energy: -110.140
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: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1225.542159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.542159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.542159 (E_RNA)
where:
Base-Base interactions energy: -879.084
where: short stacking energy: -374.403
Base-Backbone interact. energy: 0.013
local terms energy: -346.470716
where:
bonds (distance) C4'-P energy: -58.478
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -80.691
flat angles P-C4'-P energy: -47.572
tors. eta vs tors. theta energy: -103.699
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: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1131.471723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.471723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.471723 (E_RNA)
where:
Base-Base interactions energy: -784.447
where: short stacking energy: -327.223
Base-Backbone interact. energy: 0.431
local terms energy: -347.456431
where:
bonds (distance) C4'-P energy: -60.118
bonds (distance) P-C4' energy: -67.303
flat angles C4'-P-C4' energy: -71.106
flat angles P-C4'-P energy: -52.070
tors. eta vs tors. theta energy: -96.859
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: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1127.535970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.535970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.535970 (E_RNA)
where:
Base-Base interactions energy: -767.322
where: short stacking energy: -338.291
Base-Backbone interact. energy: -0.626
local terms energy: -359.588405
where:
bonds (distance) C4'-P energy: -74.281
bonds (distance) P-C4' energy: -66.190
flat angles C4'-P-C4' energy: -78.705
flat angles P-C4'-P energy: -47.318
tors. eta vs tors. theta energy: -93.094
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: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1033.748222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.748222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.748222 (E_RNA)
where:
Base-Base interactions energy: -723.544
where: short stacking energy: -284.839
Base-Backbone interact. energy: -0.421
local terms energy: -309.783000
where:
bonds (distance) C4'-P energy: -57.621
bonds (distance) P-C4' energy: -66.958
flat angles C4'-P-C4' energy: -60.423
flat angles P-C4'-P energy: -48.725
tors. eta vs tors. theta energy: -76.057
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: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -851.573526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.573526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.573526 (E_RNA)
where:
Base-Base interactions energy: -559.436
where: short stacking energy: -241.879
Base-Backbone interact. energy: -2.189
local terms energy: -289.948424
where:
bonds (distance) C4'-P energy: -65.845
bonds (distance) P-C4' energy: -64.428
flat angles C4'-P-C4' energy: -54.735
flat angles P-C4'-P energy: -45.413
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: 10, replica: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -732.485618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.485618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.485618 (E_RNA)
where:
Base-Base interactions energy: -482.347
where: short stacking energy: -220.463
Base-Backbone interact. energy: -0.966
local terms energy: -249.172526
where:
bonds (distance) C4'-P energy: -48.777
bonds (distance) P-C4' energy: -51.417
flat angles C4'-P-C4' energy: -61.209
flat angles P-C4'-P energy: -39.557
tors. eta vs tors. theta energy: -48.213
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: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1483.058380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.058380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.058380 (E_RNA)
where:
Base-Base interactions energy: -1064.569
where: short stacking energy: -435.329
Base-Backbone interact. energy: -1.125
local terms energy: -417.364684
where:
bonds (distance) C4'-P energy: -67.031
bonds (distance) P-C4' energy: -69.387
flat angles C4'-P-C4' energy: -93.609
flat angles P-C4'-P energy: -57.712
tors. eta vs tors. theta energy: -129.625
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: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1352.642629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.642629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.642629 (E_RNA)
where:
Base-Base interactions energy: -972.469
where: short stacking energy: -401.495
Base-Backbone interact. energy: -2.578
local terms energy: -377.595842
where:
bonds (distance) C4'-P energy: -61.618
bonds (distance) P-C4' energy: -71.241
flat angles C4'-P-C4' energy: -79.722
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: -109.802
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: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1323.330123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.330123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.330123 (E_RNA)
where:
Base-Base interactions energy: -926.102
where: short stacking energy: -384.570
Base-Backbone interact. energy: 1.691
local terms energy: -398.919094
where:
bonds (distance) C4'-P energy: -74.263
bonds (distance) P-C4' energy: -84.843
flat angles C4'-P-C4' energy: -87.431
flat angles P-C4'-P energy: -46.760
tors. eta vs tors. theta energy: -105.622
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: 439
Temperature: 1.050000
Total energy: -1262.773401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.773401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.773401 (E_RNA)
where:
Base-Base interactions energy: -876.064
where: short stacking energy: -366.089
Base-Backbone interact. energy: -0.555
local terms energy: -386.155085
where:
bonds (distance) C4'-P energy: -78.050
bonds (distance) P-C4' energy: -78.998
flat angles C4'-P-C4' energy: -77.554
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: -101.233
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: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1245.060884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.060884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.060884 (E_RNA)
where:
Base-Base interactions energy: -869.118
where: short stacking energy: -361.196
Base-Backbone interact. energy: -0.055
local terms energy: -375.888282
where:
bonds (distance) C4'-P energy: -72.500
bonds (distance) P-C4' energy: -67.983
flat angles C4'-P-C4' energy: -78.610
flat angles P-C4'-P energy: -59.124
tors. eta vs tors. theta energy: -97.671
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: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1156.165108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.165108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.165108 (E_RNA)
where:
Base-Base interactions energy: -804.516
where: short stacking energy: -338.790
Base-Backbone interact. energy: -1.144
local terms energy: -350.504965
where:
bonds (distance) C4'-P energy: -70.931
bonds (distance) P-C4' energy: -72.075
flat angles C4'-P-C4' energy: -68.098
flat angles P-C4'-P energy: -45.403
tors. eta vs tors. theta energy: -93.998
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: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1088.307915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.307915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.307915 (E_RNA)
where:
Base-Base interactions energy: -770.272
where: short stacking energy: -332.487
Base-Backbone interact. energy: -0.109
local terms energy: -317.927432
where:
bonds (distance) C4'-P energy: -58.380
bonds (distance) P-C4' energy: -70.093
flat angles C4'-P-C4' energy: -71.768
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -83.678
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: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1079.131419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.131419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.131419 (E_RNA)
where:
Base-Base interactions energy: -747.707
where: short stacking energy: -314.835
Base-Backbone interact. energy: -0.474
local terms energy: -330.950483
where:
bonds (distance) C4'-P energy: -80.434
bonds (distance) P-C4' energy: -68.631
flat angles C4'-P-C4' energy: -65.548
flat angles P-C4'-P energy: -36.277
tors. eta vs tors. theta energy: -80.061
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: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -872.100286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.100286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.100286 (E_RNA)
where:
Base-Base interactions energy: -582.861
where: short stacking energy: -247.845
Base-Backbone interact. energy: -2.559
local terms energy: -286.680266
where:
bonds (distance) C4'-P energy: -60.999
bonds (distance) P-C4' energy: -63.472
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -48.196
tors. eta vs tors. theta energy: -58.784
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: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -699.566531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.566531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.566531 (E_RNA)
where:
Base-Base interactions energy: -429.729
where: short stacking energy: -200.260
Base-Backbone interact. energy: -1.163
local terms energy: -268.674732
where:
bonds (distance) C4'-P energy: -59.467
bonds (distance) P-C4' energy: -81.207
flat angles C4'-P-C4' energy: -68.293
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -36.640
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: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1486.278337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.278337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.278337 (E_RNA)
where:
Base-Base interactions energy: -1065.242
where: short stacking energy: -438.144
Base-Backbone interact. energy: -1.234
local terms energy: -419.801796
where:
bonds (distance) C4'-P energy: -82.832
bonds (distance) P-C4' energy: -71.493
flat angles C4'-P-C4' energy: -87.304
flat angles P-C4'-P energy: -55.913
tors. eta vs tors. theta energy: -122.259
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: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1331.551064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.551064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.551064 (E_RNA)
where:
Base-Base interactions energy: -932.248
where: short stacking energy: -394.681
Base-Backbone interact. energy: -2.043
local terms energy: -397.260448
where:
bonds (distance) C4'-P energy: -68.280
bonds (distance) P-C4' energy: -78.413
flat angles C4'-P-C4' energy: -74.451
flat angles P-C4'-P energy: -62.901
tors. eta vs tors. theta energy: -113.216
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: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1292.349507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.349507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.349507 (E_RNA)
where:
Base-Base interactions energy: -919.693
where: short stacking energy: -390.821
Base-Backbone interact. energy: -0.123
local terms energy: -372.533634
where:
bonds (distance) C4'-P energy: -58.522
bonds (distance) P-C4' energy: -71.999
flat angles C4'-P-C4' energy: -79.428
flat angles P-C4'-P energy: -53.663
tors. eta vs tors. theta energy: -108.922
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: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1298.870669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.870669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.870669 (E_RNA)
where:
Base-Base interactions energy: -921.691
where: short stacking energy: -384.735
Base-Backbone interact. energy: -3.599
local terms energy: -373.581046
where:
bonds (distance) C4'-P energy: -69.440
bonds (distance) P-C4' energy: -73.027
flat angles C4'-P-C4' energy: -77.872
flat angles P-C4'-P energy: -50.573
tors. eta vs tors. theta energy: -102.669
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: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1210.596422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.596422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.596422 (E_RNA)
where:
Base-Base interactions energy: -857.926
where: short stacking energy: -367.584
Base-Backbone interact. energy: -0.340
local terms energy: -352.329629
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -68.218
flat angles C4'-P-C4' energy: -75.137
flat angles P-C4'-P energy: -47.635
tors. eta vs tors. theta energy: -91.840
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: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1123.199676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.199676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.199676 (E_RNA)
where:
Base-Base interactions energy: -776.970
where: short stacking energy: -330.268
Base-Backbone interact. energy: -0.891
local terms energy: -345.338975
where:
bonds (distance) C4'-P energy: -58.974
bonds (distance) P-C4' energy: -66.205
flat angles C4'-P-C4' energy: -77.689
flat angles P-C4'-P energy: -54.180
tors. eta vs tors. theta energy: -88.291
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: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1104.903683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.903683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.903683 (E_RNA)
where:
Base-Base interactions energy: -773.319
where: short stacking energy: -327.705
Base-Backbone interact. energy: 0.182
local terms energy: -331.767142
where:
bonds (distance) C4'-P energy: -56.896
bonds (distance) P-C4' energy: -64.771
flat angles C4'-P-C4' energy: -80.769
flat angles P-C4'-P energy: -47.263
tors. eta vs tors. theta energy: -82.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1047.053821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.053821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.053821 (E_RNA)
where:
Base-Base interactions energy: -719.168
where: short stacking energy: -303.922
Base-Backbone interact. energy: -1.594
local terms energy: -326.291854
where:
bonds (distance) C4'-P energy: -70.045
bonds (distance) P-C4' energy: -61.103
flat angles C4'-P-C4' energy: -73.055
flat angles P-C4'-P energy: -40.055
tors. eta vs tors. theta energy: -82.034
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: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -879.769007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.769007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.769007 (E_RNA)
where:
Base-Base interactions energy: -577.736
where: short stacking energy: -243.651
Base-Backbone interact. energy: -0.500
local terms energy: -301.533427
where:
bonds (distance) C4'-P energy: -58.651
bonds (distance) P-C4' energy: -63.429
flat angles C4'-P-C4' energy: -64.885
flat angles P-C4'-P energy: -54.632
tors. eta vs tors. theta energy: -59.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -678.685180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.685180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.685180 (E_RNA)
where:
Base-Base interactions energy: -416.235
where: short stacking energy: -182.136
Base-Backbone interact. energy: 1.509
local terms energy: -263.958733
where:
bonds (distance) C4'-P energy: -59.264
bonds (distance) P-C4' energy: -47.234
flat angles C4'-P-C4' energy: -70.730
flat angles P-C4'-P energy: -44.831
tors. eta vs tors. theta energy: -41.900
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: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1485.324173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.324173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.324173 (E_RNA)
where:
Base-Base interactions energy: -1064.988
where: short stacking energy: -434.450
Base-Backbone interact. energy: -0.441
local terms energy: -419.895448
where:
bonds (distance) C4'-P energy: -74.662
bonds (distance) P-C4' energy: -81.993
flat angles C4'-P-C4' energy: -85.878
flat angles P-C4'-P energy: -58.459
tors. eta vs tors. theta energy: -118.902
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: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1330.438894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.438894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.438894 (E_RNA)
where:
Base-Base interactions energy: -939.734
where: short stacking energy: -383.671
Base-Backbone interact. energy: -1.686
local terms energy: -389.018943
where:
bonds (distance) C4'-P energy: -68.567
bonds (distance) P-C4' energy: -79.946
flat angles C4'-P-C4' energy: -80.194
flat angles P-C4'-P energy: -51.372
tors. eta vs tors. theta energy: -108.940
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: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1299.541510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.541510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.541510 (E_RNA)
where:
Base-Base interactions energy: -915.433
where: short stacking energy: -399.864
Base-Backbone interact. energy: 2.585
local terms energy: -386.693594
where:
bonds (distance) C4'-P energy: -67.999
bonds (distance) P-C4' energy: -78.386
flat angles C4'-P-C4' energy: -78.568
flat angles P-C4'-P energy: -53.887
tors. eta vs tors. theta energy: -107.854
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: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1300.203676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.203676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.203676 (E_RNA)
where:
Base-Base interactions energy: -936.604
where: short stacking energy: -376.694
Base-Backbone interact. energy: -0.964
local terms energy: -362.635349
where:
bonds (distance) C4'-P energy: -53.380
bonds (distance) P-C4' energy: -75.677
flat angles C4'-P-C4' energy: -79.566
flat angles P-C4'-P energy: -52.041
tors. eta vs tors. theta energy: -101.972
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: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1222.887202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.887202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.887202 (E_RNA)
where:
Base-Base interactions energy: -841.084
where: short stacking energy: -364.712
Base-Backbone interact. energy: -1.192
local terms energy: -380.611222
where:
bonds (distance) C4'-P energy: -71.701
bonds (distance) P-C4' energy: -69.951
flat angles C4'-P-C4' energy: -79.142
flat angles P-C4'-P energy: -57.269
tors. eta vs tors. theta energy: -102.548
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: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1166.802569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.802569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.802569 (E_RNA)
where:
Base-Base interactions energy: -825.022
where: short stacking energy: -337.605
Base-Backbone interact. energy: 1.089
local terms energy: -342.870022
where:
bonds (distance) C4'-P energy: -61.888
bonds (distance) P-C4' energy: -67.303
flat angles C4'-P-C4' energy: -71.528
flat angles P-C4'-P energy: -44.367
tors. eta vs tors. theta energy: -97.785
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: 441
Temperature: 1.200000
Total energy: -1105.662255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.662255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.662255 (E_RNA)
where:
Base-Base interactions energy: -756.046
where: short stacking energy: -342.960
Base-Backbone interact. energy: 1.030
local terms energy: -350.647049
where:
bonds (distance) C4'-P energy: -64.866
bonds (distance) P-C4' energy: -68.698
flat angles C4'-P-C4' energy: -79.402
flat angles P-C4'-P energy: -52.255
tors. eta vs tors. theta energy: -85.427
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: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -995.458473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.458473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.458473 (E_RNA)
where:
Base-Base interactions energy: -692.737
where: short stacking energy: -278.379
Base-Backbone interact. energy: -1.707
local terms energy: -301.014784
where:
bonds (distance) C4'-P energy: -54.638
bonds (distance) P-C4' energy: -63.610
flat angles C4'-P-C4' energy: -69.870
flat angles P-C4'-P energy: -49.916
tors. eta vs tors. theta energy: -62.980
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: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -844.374115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.374115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.374115 (E_RNA)
where:
Base-Base interactions energy: -561.675
where: short stacking energy: -226.728
Base-Backbone interact. energy: -0.960
local terms energy: -281.739551
where:
bonds (distance) C4'-P energy: -66.272
bonds (distance) P-C4' energy: -62.624
flat angles C4'-P-C4' energy: -71.471
flat angles P-C4'-P energy: -27.833
tors. eta vs tors. theta energy: -53.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -665.501685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.501685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.501685 (E_RNA)
where:
Base-Base interactions energy: -420.351
where: short stacking energy: -189.257
Base-Backbone interact. energy: 5.168
local terms energy: -250.319448
where:
bonds (distance) C4'-P energy: -63.541
bonds (distance) P-C4' energy: -63.892
flat angles C4'-P-C4' energy: -55.874
flat angles P-C4'-P energy: -34.996
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: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1474.408045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.408045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.408045 (E_RNA)
where:
Base-Base interactions energy: -1039.069
where: short stacking energy: -421.671
Base-Backbone interact. energy: -0.113
local terms energy: -435.226220
where:
bonds (distance) C4'-P energy: -79.800
bonds (distance) P-C4' energy: -81.813
flat angles C4'-P-C4' energy: -88.195
flat angles P-C4'-P energy: -65.687
tors. eta vs tors. theta energy: -119.732
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: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1352.229792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.229792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.229792 (E_RNA)
where:
Base-Base interactions energy: -949.472
where: short stacking energy: -389.520
Base-Backbone interact. energy: -0.634
local terms energy: -402.122982
where:
bonds (distance) C4'-P energy: -80.279
bonds (distance) P-C4' energy: -66.168
flat angles C4'-P-C4' energy: -89.042
flat angles P-C4'-P energy: -58.824
tors. eta vs tors. theta energy: -107.810
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: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1304.446075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.446075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.446075 (E_RNA)
where:
Base-Base interactions energy: -916.654
where: short stacking energy: -392.096
Base-Backbone interact. energy: 0.094
local terms energy: -387.886607
where:
bonds (distance) C4'-P energy: -76.430
bonds (distance) P-C4' energy: -65.188
flat angles C4'-P-C4' energy: -89.693
flat angles P-C4'-P energy: -47.914
tors. eta vs tors. theta energy: -108.661
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: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1292.062221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.062221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.062221 (E_RNA)
where:
Base-Base interactions energy: -922.840
where: short stacking energy: -360.669
Base-Backbone interact. energy: -1.082
local terms energy: -368.139826
where:
bonds (distance) C4'-P energy: -64.453
bonds (distance) P-C4' energy: -74.714
flat angles C4'-P-C4' energy: -82.836
flat angles P-C4'-P energy: -47.321
tors. eta vs tors. theta energy: -98.816
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: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1180.235947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.235947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.235947 (E_RNA)
where:
Base-Base interactions energy: -833.406
where: short stacking energy: -349.294
Base-Backbone interact. energy: -1.416
local terms energy: -345.414061
where:
bonds (distance) C4'-P energy: -69.817
bonds (distance) P-C4' energy: -59.072
flat angles C4'-P-C4' energy: -77.380
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -96.376
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: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1208.667121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.667121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.667121 (E_RNA)
where:
Base-Base interactions energy: -854.206
where: short stacking energy: -348.808
Base-Backbone interact. energy: -0.533
local terms energy: -353.928453
where:
bonds (distance) C4'-P energy: -59.765
bonds (distance) P-C4' energy: -63.565
flat angles C4'-P-C4' energy: -80.082
flat angles P-C4'-P energy: -49.930
tors. eta vs tors. theta energy: -100.587
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: 442
Temperature: 1.200000
Total energy: -1085.218841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.218841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.218841 (E_RNA)
where:
Base-Base interactions energy: -751.948
where: short stacking energy: -317.260
Base-Backbone interact. energy: -0.885
local terms energy: -332.386660
where:
bonds (distance) C4'-P energy: -68.758
bonds (distance) P-C4' energy: -60.287
flat angles C4'-P-C4' energy: -65.067
flat angles P-C4'-P energy: -48.229
tors. eta vs tors. theta energy: -90.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1065.796572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.796572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.796572 (E_RNA)
where:
Base-Base interactions energy: -753.672
where: short stacking energy: -296.871
Base-Backbone interact. energy: 1.609
local terms energy: -313.734026
where:
bonds (distance) C4'-P energy: -49.274
bonds (distance) P-C4' energy: -71.412
flat angles C4'-P-C4' energy: -65.336
flat angles P-C4'-P energy: -51.578
tors. eta vs tors. theta energy: -76.135
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: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -849.125663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.125663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.125663 (E_RNA)
where:
Base-Base interactions energy: -590.294
where: short stacking energy: -246.431
Base-Backbone interact. energy: 0.924
local terms energy: -259.755834
where:
bonds (distance) C4'-P energy: -41.543
bonds (distance) P-C4' energy: -65.625
flat angles C4'-P-C4' energy: -71.399
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -49.068
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: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -614.421119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.421119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.421119 (E_RNA)
where:
Base-Base interactions energy: -370.710
where: short stacking energy: -188.541
Base-Backbone interact. energy: 3.059
local terms energy: -246.769416
where:
bonds (distance) C4'-P energy: -60.522
bonds (distance) P-C4' energy: -53.983
flat angles C4'-P-C4' energy: -53.748
flat angles P-C4'-P energy: -38.965
tors. eta vs tors. theta energy: -39.552
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: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1467.916121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.916121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.916121 (E_RNA)
where:
Base-Base interactions energy: -1049.841
where: short stacking energy: -444.342
Base-Backbone interact. energy: -1.616
local terms energy: -416.459534
where:
bonds (distance) C4'-P energy: -78.012
bonds (distance) P-C4' energy: -73.269
flat angles C4'-P-C4' energy: -86.403
flat angles P-C4'-P energy: -51.255
tors. eta vs tors. theta energy: -127.520
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: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1335.258736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.258736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.258736 (E_RNA)
where:
Base-Base interactions energy: -942.789
where: short stacking energy: -399.540
Base-Backbone interact. energy: -1.708
local terms energy: -390.762240
where:
bonds (distance) C4'-P energy: -77.417
bonds (distance) P-C4' energy: -63.523
flat angles C4'-P-C4' energy: -76.685
flat angles P-C4'-P energy: -60.187
tors. eta vs tors. theta energy: -112.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1318.506471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.506471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.506471 (E_RNA)
where:
Base-Base interactions energy: -924.523
where: short stacking energy: -393.714
Base-Backbone interact. energy: -1.169
local terms energy: -392.814411
where:
bonds (distance) C4'-P energy: -76.135
bonds (distance) P-C4' energy: -67.774
flat angles C4'-P-C4' energy: -82.499
flat angles P-C4'-P energy: -59.822
tors. eta vs tors. theta energy: -106.584
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: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1282.280203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.280203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.280203 (E_RNA)
where:
Base-Base interactions energy: -907.318
where: short stacking energy: -363.052
Base-Backbone interact. energy: -0.524
local terms energy: -374.438420
where:
bonds (distance) C4'-P energy: -71.262
bonds (distance) P-C4' energy: -72.623
flat angles C4'-P-C4' energy: -79.026
flat angles P-C4'-P energy: -58.632
tors. eta vs tors. theta energy: -92.896
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: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1159.869110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.869110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.869110 (E_RNA)
where:
Base-Base interactions energy: -816.849
where: short stacking energy: -341.928
Base-Backbone interact. energy: -0.748
local terms energy: -342.272038
where:
bonds (distance) C4'-P energy: -60.161
bonds (distance) P-C4' energy: -70.559
flat angles C4'-P-C4' energy: -75.142
flat angles P-C4'-P energy: -46.541
tors. eta vs tors. theta energy: -89.869
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: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1211.375819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.375819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.375819 (E_RNA)
where:
Base-Base interactions energy: -847.060
where: short stacking energy: -365.068
Base-Backbone interact. energy: 0.069
local terms energy: -364.385209
where:
bonds (distance) C4'-P energy: -71.949
bonds (distance) P-C4' energy: -71.707
flat angles C4'-P-C4' energy: -73.485
flat angles P-C4'-P energy: -39.690
tors. eta vs tors. theta energy: -107.554
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: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1078.690569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.690569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.690569 (E_RNA)
where:
Base-Base interactions energy: -741.296
where: short stacking energy: -313.670
Base-Backbone interact. energy: 1.547
local terms energy: -338.941484
where:
bonds (distance) C4'-P energy: -60.687
bonds (distance) P-C4' energy: -70.390
flat angles C4'-P-C4' energy: -73.984
flat angles P-C4'-P energy: -50.075
tors. eta vs tors. theta energy: -83.806
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: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1023.742575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.742575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.742575 (E_RNA)
where:
Base-Base interactions energy: -699.600
where: short stacking energy: -278.441
Base-Backbone interact. energy: 2.501
local terms energy: -326.644089
where:
bonds (distance) C4'-P energy: -64.297
bonds (distance) P-C4' energy: -69.167
flat angles C4'-P-C4' energy: -75.193
flat angles P-C4'-P energy: -54.125
tors. eta vs tors. theta energy: -63.862
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: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -829.626060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.626060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.626060 (E_RNA)
where:
Base-Base interactions energy: -560.962
where: short stacking energy: -228.125
Base-Backbone interact. energy: -2.430
local terms energy: -266.234582
where:
bonds (distance) C4'-P energy: -62.123
bonds (distance) P-C4' energy: -71.737
flat angles C4'-P-C4' energy: -56.505
flat angles P-C4'-P energy: -36.056
tors. eta vs tors. theta energy: -39.813
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: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -578.500025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.500025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.500025 (E_RNA)
where:
Base-Base interactions energy: -336.694
where: short stacking energy: -157.228
Base-Backbone interact. energy: -0.383
local terms energy: -241.422410
where:
bonds (distance) C4'-P energy: -66.238
bonds (distance) P-C4' energy: -61.938
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -12.491
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: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1478.547346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.547346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.547346 (E_RNA)
where:
Base-Base interactions energy: -1054.279
where: short stacking energy: -440.764
Base-Backbone interact. energy: -1.697
local terms energy: -422.571050
where:
bonds (distance) C4'-P energy: -77.871
bonds (distance) P-C4' energy: -73.096
flat angles C4'-P-C4' energy: -90.758
flat angles P-C4'-P energy: -60.645
tors. eta vs tors. theta energy: -120.202
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: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1338.015326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.015326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.015326 (E_RNA)
where:
Base-Base interactions energy: -932.039
where: short stacking energy: -382.594
Base-Backbone interact. energy: -0.879
local terms energy: -405.097156
where:
bonds (distance) C4'-P energy: -75.918
bonds (distance) P-C4' energy: -78.698
flat angles C4'-P-C4' energy: -83.318
flat angles P-C4'-P energy: -61.209
tors. eta vs tors. theta energy: -105.954
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: 444
Temperature: 1.000000
Total energy: -1336.400465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.400465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.400465 (E_RNA)
where:
Base-Base interactions energy: -944.249
where: short stacking energy: -404.699
Base-Backbone interact. energy: -0.743
local terms energy: -391.408001
where:
bonds (distance) C4'-P energy: -74.543
bonds (distance) P-C4' energy: -75.561
flat angles C4'-P-C4' energy: -69.092
flat angles P-C4'-P energy: -62.022
tors. eta vs tors. theta energy: -110.191
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: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1255.672628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.672628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.672628 (E_RNA)
where:
Base-Base interactions energy: -912.160
where: short stacking energy: -387.378
Base-Backbone interact. energy: 4.793
local terms energy: -348.305355
where:
bonds (distance) C4'-P energy: -49.569
bonds (distance) P-C4' energy: -69.259
flat angles C4'-P-C4' energy: -79.475
flat angles P-C4'-P energy: -57.727
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: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1230.284132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.284132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.284132 (E_RNA)
where:
Base-Base interactions energy: -863.427
where: short stacking energy: -377.561
Base-Backbone interact. energy: 3.269
local terms energy: -370.126788
where:
bonds (distance) C4'-P energy: -70.969
bonds (distance) P-C4' energy: -65.313
flat angles C4'-P-C4' energy: -78.708
flat angles P-C4'-P energy: -55.725
tors. eta vs tors. theta energy: -99.412
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: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1157.961254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.961254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.961254 (E_RNA)
where:
Base-Base interactions energy: -804.894
where: short stacking energy: -344.992
Base-Backbone interact. energy: -0.270
local terms energy: -352.797861
where:
bonds (distance) C4'-P energy: -64.647
bonds (distance) P-C4' energy: -65.106
flat angles C4'-P-C4' energy: -74.940
flat angles P-C4'-P energy: -56.491
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: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1032.651363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.651363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.651363 (E_RNA)
where:
Base-Base interactions energy: -715.314
where: short stacking energy: -297.440
Base-Backbone interact. energy: -1.779
local terms energy: -315.558576
where:
bonds (distance) C4'-P energy: -60.321
bonds (distance) P-C4' energy: -68.440
flat angles C4'-P-C4' energy: -77.531
flat angles P-C4'-P energy: -45.192
tors. eta vs tors. theta energy: -64.074
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: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1032.312510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.312510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.312510 (E_RNA)
where:
Base-Base interactions energy: -728.204
where: short stacking energy: -327.041
Base-Backbone interact. energy: 3.596
local terms energy: -307.704067
where:
bonds (distance) C4'-P energy: -52.447
bonds (distance) P-C4' energy: -53.533
flat angles C4'-P-C4' energy: -81.379
flat angles P-C4'-P energy: -37.455
tors. eta vs tors. theta energy: -82.890
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: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -775.213479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.213479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.213479 (E_RNA)
where:
Base-Base interactions energy: -499.654
where: short stacking energy: -207.636
Base-Backbone interact. energy: -2.560
local terms energy: -272.999895
where:
bonds (distance) C4'-P energy: -59.452
bonds (distance) P-C4' energy: -65.379
flat angles C4'-P-C4' energy: -64.802
flat angles P-C4'-P energy: -45.872
tors. eta vs tors. theta energy: -37.494
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: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -676.804132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.804132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.804132 (E_RNA)
where:
Base-Base interactions energy: -417.042
where: short stacking energy: -203.915
Base-Backbone interact. energy: 3.296
local terms energy: -263.057852
where:
bonds (distance) C4'-P energy: -65.642
bonds (distance) P-C4' energy: -67.445
flat angles C4'-P-C4' energy: -60.931
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: -38.100
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: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1464.624703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.624703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.624703 (E_RNA)
where:
Base-Base interactions energy: -1058.648
where: short stacking energy: -435.193
Base-Backbone interact. energy: 1.003
local terms energy: -406.980036
where:
bonds (distance) C4'-P energy: -69.254
bonds (distance) P-C4' energy: -74.154
flat angles C4'-P-C4' energy: -86.308
flat angles P-C4'-P energy: -50.525
tors. eta vs tors. theta energy: -126.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1352.286568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.286568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.286568 (E_RNA)
where:
Base-Base interactions energy: -970.885
where: short stacking energy: -411.030
Base-Backbone interact. energy: -1.493
local terms energy: -379.908581
where:
bonds (distance) C4'-P energy: -63.774
bonds (distance) P-C4' energy: -62.391
flat angles C4'-P-C4' energy: -87.191
flat angles P-C4'-P energy: -52.416
tors. eta vs tors. theta energy: -114.136
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: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1321.083196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.083196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.083196 (E_RNA)
where:
Base-Base interactions energy: -935.576
where: short stacking energy: -397.754
Base-Backbone interact. energy: -0.720
local terms energy: -384.787406
where:
bonds (distance) C4'-P energy: -78.917
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -77.607
flat angles P-C4'-P energy: -58.578
tors. eta vs tors. theta energy: -109.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1267.797509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.797509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.797509 (E_RNA)
where:
Base-Base interactions energy: -901.152
where: short stacking energy: -352.956
Base-Backbone interact. energy: -2.117
local terms energy: -364.528143
where:
bonds (distance) C4'-P energy: -70.670
bonds (distance) P-C4' energy: -68.243
flat angles C4'-P-C4' energy: -77.067
flat angles P-C4'-P energy: -55.330
tors. eta vs tors. theta energy: -93.218
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: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1222.291626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.291626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.291626 (E_RNA)
where:
Base-Base interactions energy: -860.302
where: short stacking energy: -370.448
Base-Backbone interact. energy: -0.647
local terms energy: -361.342434
where:
bonds (distance) C4'-P energy: -58.783
bonds (distance) P-C4' energy: -69.305
flat angles C4'-P-C4' energy: -77.184
flat angles P-C4'-P energy: -54.378
tors. eta vs tors. theta energy: -101.692
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: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1146.421494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.421494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.421494 (E_RNA)
where:
Base-Base interactions energy: -808.994
where: short stacking energy: -329.397
Base-Backbone interact. energy: 0.098
local terms energy: -337.525278
where:
bonds (distance) C4'-P energy: -56.910
bonds (distance) P-C4' energy: -77.280
flat angles C4'-P-C4' energy: -72.310
flat angles P-C4'-P energy: -44.902
tors. eta vs tors. theta energy: -86.123
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: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1045.528926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.528926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.528926 (E_RNA)
where:
Base-Base interactions energy: -698.663
where: short stacking energy: -292.186
Base-Backbone interact. energy: -2.437
local terms energy: -344.428932
where:
bonds (distance) C4'-P energy: -66.368
bonds (distance) P-C4' energy: -74.756
flat angles C4'-P-C4' energy: -76.876
flat angles P-C4'-P energy: -46.763
tors. eta vs tors. theta energy: -79.667
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: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1014.287928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.287928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.287928 (E_RNA)
where:
Base-Base interactions energy: -683.555
where: short stacking energy: -303.577
Base-Backbone interact. energy: -2.222
local terms energy: -328.511317
where:
bonds (distance) C4'-P energy: -59.692
bonds (distance) P-C4' energy: -66.329
flat angles C4'-P-C4' energy: -73.398
flat angles P-C4'-P energy: -48.382
tors. eta vs tors. theta energy: -80.710
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: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -844.759095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.759095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.759095 (E_RNA)
where:
Base-Base interactions energy: -594.324
where: short stacking energy: -221.668
Base-Backbone interact. energy: 0.300
local terms energy: -250.735424
where:
bonds (distance) C4'-P energy: -44.192
bonds (distance) P-C4' energy: -60.318
flat angles C4'-P-C4' energy: -66.397
flat angles P-C4'-P energy: -28.962
tors. eta vs tors. theta energy: -50.866
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: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -711.663663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.663663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.663663 (E_RNA)
where:
Base-Base interactions energy: -463.175
where: short stacking energy: -223.187
Base-Backbone interact. energy: -1.683
local terms energy: -246.805510
where:
bonds (distance) C4'-P energy: -60.582
bonds (distance) P-C4' energy: -60.711
flat angles C4'-P-C4' energy: -68.278
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -35.662
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: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1475.340377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.340377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.340377 (E_RNA)
where:
Base-Base interactions energy: -1048.005
where: short stacking energy: -431.662
Base-Backbone interact. energy: -1.988
local terms energy: -425.347637
where:
bonds (distance) C4'-P energy: -84.091
bonds (distance) P-C4' energy: -80.257
flat angles C4'-P-C4' energy: -86.102
flat angles P-C4'-P energy: -54.898
tors. eta vs tors. theta energy: -120.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1354.169077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.169077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.169077 (E_RNA)
where:
Base-Base interactions energy: -950.175
where: short stacking energy: -399.486
Base-Backbone interact. energy: -0.579
local terms energy: -403.415951
where:
bonds (distance) C4'-P energy: -80.444
bonds (distance) P-C4' energy: -76.308
flat angles C4'-P-C4' energy: -87.149
flat angles P-C4'-P energy: -47.547
tors. eta vs tors. theta energy: -111.968
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: 446
Temperature: 1.000000
Total energy: -1297.448290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.448290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.448290 (E_RNA)
where:
Base-Base interactions energy: -921.915
where: short stacking energy: -386.735
Base-Backbone interact. energy: 0.302
local terms energy: -375.835587
where:
bonds (distance) C4'-P energy: -66.517
bonds (distance) P-C4' energy: -73.389
flat angles C4'-P-C4' energy: -72.745
flat angles P-C4'-P energy: -46.162
tors. eta vs tors. theta energy: -117.022
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: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1266.229845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.229845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.229845 (E_RNA)
where:
Base-Base interactions energy: -914.216
where: short stacking energy: -363.939
Base-Backbone interact. energy: 0.734
local terms energy: -352.747797
where:
bonds (distance) C4'-P energy: -63.202
bonds (distance) P-C4' energy: -73.194
flat angles C4'-P-C4' energy: -74.279
flat angles P-C4'-P energy: -53.529
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: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1235.880839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.880839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.880839 (E_RNA)
where:
Base-Base interactions energy: -885.190
where: short stacking energy: -366.016
Base-Backbone interact. energy: -1.660
local terms energy: -349.031268
where:
bonds (distance) C4'-P energy: -59.313
bonds (distance) P-C4' energy: -61.735
flat angles C4'-P-C4' energy: -74.945
flat angles P-C4'-P energy: -51.803
tors. eta vs tors. theta energy: -101.236
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: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1143.754475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.754475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.754475 (E_RNA)
where:
Base-Base interactions energy: -807.025
where: short stacking energy: -317.612
Base-Backbone interact. energy: -0.455
local terms energy: -336.274772
where:
bonds (distance) C4'-P energy: -74.427
bonds (distance) P-C4' energy: -62.817
flat angles C4'-P-C4' energy: -71.123
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -86.341
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: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1046.777112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.777112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.777112 (E_RNA)
where:
Base-Base interactions energy: -719.622
where: short stacking energy: -288.008
Base-Backbone interact. energy: -1.593
local terms energy: -325.562249
where:
bonds (distance) C4'-P energy: -67.892
bonds (distance) P-C4' energy: -69.523
flat angles C4'-P-C4' energy: -83.156
flat angles P-C4'-P energy: -43.936
tors. eta vs tors. theta energy: -61.055
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: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -976.968591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.968591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.968591 (E_RNA)
where:
Base-Base interactions energy: -670.816
where: short stacking energy: -277.530
Base-Backbone interact. energy: 2.251
local terms energy: -308.403681
where:
bonds (distance) C4'-P energy: -57.219
bonds (distance) P-C4' energy: -60.660
flat angles C4'-P-C4' energy: -66.003
flat angles P-C4'-P energy: -56.594
tors. eta vs tors. theta energy: -67.928
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: 446
Temperature: 1.300000
Total energy: -865.154430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.154430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.154430 (E_RNA)
where:
Base-Base interactions energy: -598.378
where: short stacking energy: -242.599
Base-Backbone interact. energy: -1.739
local terms energy: -265.037266
where:
bonds (distance) C4'-P energy: -42.008
bonds (distance) P-C4' energy: -60.851
flat angles C4'-P-C4' energy: -76.615
flat angles P-C4'-P energy: -39.559
tors. eta vs tors. theta energy: -46.005
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: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -675.667656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.667656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.667656 (E_RNA)
where:
Base-Base interactions energy: -442.401
where: short stacking energy: -200.811
Base-Backbone interact. energy: 0.713
local terms energy: -233.979121
where:
bonds (distance) C4'-P energy: -48.504
bonds (distance) P-C4' energy: -58.221
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -32.986
tors. eta vs tors. theta energy: -38.565
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: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1472.005337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.005337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.005337 (E_RNA)
where:
Base-Base interactions energy: -1049.778
where: short stacking energy: -439.848
Base-Backbone interact. energy: -0.825
local terms energy: -421.402031
where:
bonds (distance) C4'-P energy: -75.877
bonds (distance) P-C4' energy: -65.798
flat angles C4'-P-C4' energy: -88.217
flat angles P-C4'-P energy: -66.889
tors. eta vs tors. theta energy: -124.620
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: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1326.049418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.049418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.049418 (E_RNA)
where:
Base-Base interactions energy: -923.541
where: short stacking energy: -389.997
Base-Backbone interact. energy: -1.473
local terms energy: -401.036293
where:
bonds (distance) C4'-P energy: -72.747
bonds (distance) P-C4' energy: -76.752
flat angles C4'-P-C4' energy: -85.245
flat angles P-C4'-P energy: -59.059
tors. eta vs tors. theta energy: -107.233
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: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1297.023024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.023024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.023024 (E_RNA)
where:
Base-Base interactions energy: -896.630
where: short stacking energy: -372.986
Base-Backbone interact. energy: -0.127
local terms energy: -400.265490
where:
bonds (distance) C4'-P energy: -77.516
bonds (distance) P-C4' energy: -73.064
flat angles C4'-P-C4' energy: -84.644
flat angles P-C4'-P energy: -46.208
tors. eta vs tors. theta energy: -118.834
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: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1261.144135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.144135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.144135 (E_RNA)
where:
Base-Base interactions energy: -899.633
where: short stacking energy: -378.055
Base-Backbone interact. energy: 0.940
local terms energy: -362.450680
where:
bonds (distance) C4'-P energy: -68.092
bonds (distance) P-C4' energy: -68.455
flat angles C4'-P-C4' energy: -77.841
flat angles P-C4'-P energy: -54.215
tors. eta vs tors. theta energy: -93.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1234.833264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.833264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.833264 (E_RNA)
where:
Base-Base interactions energy: -881.259
where: short stacking energy: -342.446
Base-Backbone interact. energy: -0.597
local terms energy: -352.977948
where:
bonds (distance) C4'-P energy: -59.332
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -85.595
flat angles P-C4'-P energy: -48.043
tors. eta vs tors. theta energy: -94.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1150.994132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.994132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.994132 (E_RNA)
where:
Base-Base interactions energy: -799.819
where: short stacking energy: -329.036
Base-Backbone interact. energy: -1.477
local terms energy: -349.698313
where:
bonds (distance) C4'-P energy: -49.738
bonds (distance) P-C4' energy: -64.334
flat angles C4'-P-C4' energy: -78.911
flat angles P-C4'-P energy: -56.090
tors. eta vs tors. theta energy: -100.624
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: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1078.862140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.862140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.862140 (E_RNA)
where:
Base-Base interactions energy: -752.112
where: short stacking energy: -316.532
Base-Backbone interact. energy: 0.502
local terms energy: -327.252143
where:
bonds (distance) C4'-P energy: -63.701
bonds (distance) P-C4' energy: -68.175
flat angles C4'-P-C4' energy: -62.083
flat angles P-C4'-P energy: -41.757
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1035.851628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.851628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.851628 (E_RNA)
where:
Base-Base interactions energy: -707.716
where: short stacking energy: -307.275
Base-Backbone interact. energy: 0.048
local terms energy: -328.183742
where:
bonds (distance) C4'-P energy: -69.874
bonds (distance) P-C4' energy: -63.205
flat angles C4'-P-C4' energy: -74.926
flat angles P-C4'-P energy: -36.020
tors. eta vs tors. theta energy: -84.158
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: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -874.158839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.158839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.158839 (E_RNA)
where:
Base-Base interactions energy: -573.671
where: short stacking energy: -239.423
Base-Backbone interact. energy: -1.690
local terms energy: -298.797004
where:
bonds (distance) C4'-P energy: -57.732
bonds (distance) P-C4' energy: -72.063
flat angles C4'-P-C4' energy: -64.192
flat angles P-C4'-P energy: -47.435
tors. eta vs tors. theta energy: -57.374
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: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -753.389427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.389427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.389427 (E_RNA)
where:
Base-Base interactions energy: -486.187
where: short stacking energy: -232.370
Base-Backbone interact. energy: 0.520
local terms energy: -267.722897
where:
bonds (distance) C4'-P energy: -62.484
bonds (distance) P-C4' energy: -65.889
flat angles C4'-P-C4' energy: -62.336
flat angles P-C4'-P energy: -28.569
tors. eta vs tors. theta energy: -48.444
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: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1462.553968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.553968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.553968 (E_RNA)
where:
Base-Base interactions energy: -1048.143
where: short stacking energy: -433.827
Base-Backbone interact. energy: -0.518
local terms energy: -413.893550
where:
bonds (distance) C4'-P energy: -72.388
bonds (distance) P-C4' energy: -77.261
flat angles C4'-P-C4' energy: -85.383
flat angles P-C4'-P energy: -54.416
tors. eta vs tors. theta energy: -124.446
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: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1323.345384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.345384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.345384 (E_RNA)
where:
Base-Base interactions energy: -932.612
where: short stacking energy: -403.436
Base-Backbone interact. energy: -3.087
local terms energy: -387.645795
where:
bonds (distance) C4'-P energy: -73.529
bonds (distance) P-C4' energy: -70.639
flat angles C4'-P-C4' energy: -86.317
flat angles P-C4'-P energy: -53.326
tors. eta vs tors. theta energy: -103.835
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: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1309.284088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.284088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.284088 (E_RNA)
where:
Base-Base interactions energy: -920.633
where: short stacking energy: -385.384
Base-Backbone interact. energy: -0.805
local terms energy: -387.845683
where:
bonds (distance) C4'-P energy: -71.012
bonds (distance) P-C4' energy: -75.279
flat angles C4'-P-C4' energy: -76.066
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -114.196
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: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1267.363794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.363794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.363794 (E_RNA)
where:
Base-Base interactions energy: -888.629
where: short stacking energy: -370.906
Base-Backbone interact. energy: -1.330
local terms energy: -377.403965
where:
bonds (distance) C4'-P energy: -68.346
bonds (distance) P-C4' energy: -64.725
flat angles C4'-P-C4' energy: -78.808
flat angles P-C4'-P energy: -57.660
tors. eta vs tors. theta energy: -107.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1227.264935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.264935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.264935 (E_RNA)
where:
Base-Base interactions energy: -875.953
where: short stacking energy: -343.446
Base-Backbone interact. energy: -1.790
local terms energy: -349.521647
where:
bonds (distance) C4'-P energy: -63.920
bonds (distance) P-C4' energy: -69.588
flat angles C4'-P-C4' energy: -78.950
flat angles P-C4'-P energy: -46.259
tors. eta vs tors. theta energy: -90.805
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: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1173.063440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.063440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.063440 (E_RNA)
where:
Base-Base interactions energy: -831.337
where: short stacking energy: -347.558
Base-Backbone interact. energy: 0.252
local terms energy: -341.978173
where:
bonds (distance) C4'-P energy: -55.066
bonds (distance) P-C4' energy: -65.469
flat angles C4'-P-C4' energy: -78.540
flat angles P-C4'-P energy: -48.113
tors. eta vs tors. theta energy: -94.790
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: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1049.047332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.047332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.047332 (E_RNA)
where:
Base-Base interactions energy: -727.318
where: short stacking energy: -312.311
Base-Backbone interact. energy: -1.089
local terms energy: -320.639995
where:
bonds (distance) C4'-P energy: -57.355
bonds (distance) P-C4' energy: -65.542
flat angles C4'-P-C4' energy: -74.455
flat angles P-C4'-P energy: -47.204
tors. eta vs tors. theta energy: -76.085
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: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1050.989038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.989038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.989038 (E_RNA)
where:
Base-Base interactions energy: -744.021
where: short stacking energy: -308.714
Base-Backbone interact. energy: 0.231
local terms energy: -307.199294
where:
bonds (distance) C4'-P energy: -57.045
bonds (distance) P-C4' energy: -66.753
flat angles C4'-P-C4' energy: -66.895
flat angles P-C4'-P energy: -37.041
tors. eta vs tors. theta energy: -79.465
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: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -879.276495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.276495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.276495 (E_RNA)
where:
Base-Base interactions energy: -585.302
where: short stacking energy: -242.176
Base-Backbone interact. energy: -0.670
local terms energy: -293.303633
where:
bonds (distance) C4'-P energy: -66.526
bonds (distance) P-C4' energy: -61.612
flat angles C4'-P-C4' energy: -66.890
flat angles P-C4'-P energy: -46.247
tors. eta vs tors. theta energy: -52.028
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: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -698.773928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.773928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.773928 (E_RNA)
where:
Base-Base interactions energy: -448.602
where: short stacking energy: -219.072
Base-Backbone interact. energy: -0.147
local terms energy: -250.024892
where:
bonds (distance) C4'-P energy: -63.771
bonds (distance) P-C4' energy: -58.527
flat angles C4'-P-C4' energy: -64.511
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -35.652
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: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1474.713680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.713680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.713680 (E_RNA)
where:
Base-Base interactions energy: -1048.424
where: short stacking energy: -430.108
Base-Backbone interact. energy: -2.174
local terms energy: -424.115838
where:
bonds (distance) C4'-P energy: -78.600
bonds (distance) P-C4' energy: -80.337
flat angles C4'-P-C4' energy: -91.113
flat angles P-C4'-P energy: -57.079
tors. eta vs tors. theta energy: -116.987
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: 449
Temperature: 0.950000
Total energy: -1348.690916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.690916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.690916 (E_RNA)
where:
Base-Base interactions energy: -944.880
where: short stacking energy: -394.590
Base-Backbone interact. energy: -2.071
local terms energy: -401.739744
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -67.776
flat angles C4'-P-C4' energy: -85.508
flat angles P-C4'-P energy: -58.459
tors. eta vs tors. theta energy: -109.666
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: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1320.894869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.894869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.894869 (E_RNA)
where:
Base-Base interactions energy: -925.553
where: short stacking energy: -397.112
Base-Backbone interact. energy: -0.699
local terms energy: -394.642941
where:
bonds (distance) C4'-P energy: -70.364
bonds (distance) P-C4' energy: -77.545
flat angles C4'-P-C4' energy: -88.782
flat angles P-C4'-P energy: -52.119
tors. eta vs tors. theta energy: -105.833
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: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1281.609366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.609366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.609366 (E_RNA)
where:
Base-Base interactions energy: -899.723
where: short stacking energy: -371.834
Base-Backbone interact. energy: -1.004
local terms energy: -380.882638
where:
bonds (distance) C4'-P energy: -76.243
bonds (distance) P-C4' energy: -76.023
flat angles C4'-P-C4' energy: -78.356
flat angles P-C4'-P energy: -48.101
tors. eta vs tors. theta energy: -102.160
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: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1243.654209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.654209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.654209 (E_RNA)
where:
Base-Base interactions energy: -900.532
where: short stacking energy: -343.665
Base-Backbone interact. energy: -3.424
local terms energy: -339.698128
where:
bonds (distance) C4'-P energy: -63.869
bonds (distance) P-C4' energy: -68.945
flat angles C4'-P-C4' energy: -73.068
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: -87.410
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: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1157.702829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.702829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.702829 (E_RNA)
where:
Base-Base interactions energy: -809.268
where: short stacking energy: -338.582
Base-Backbone interact. energy: -0.341
local terms energy: -348.093646
where:
bonds (distance) C4'-P energy: -75.443
bonds (distance) P-C4' energy: -55.351
flat angles C4'-P-C4' energy: -74.985
flat angles P-C4'-P energy: -50.126
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: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1102.837528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.837528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.837528 (E_RNA)
where:
Base-Base interactions energy: -762.756
where: short stacking energy: -315.939
Base-Backbone interact. energy: 1.374
local terms energy: -341.455223
where:
bonds (distance) C4'-P energy: -67.642
bonds (distance) P-C4' energy: -52.776
flat angles C4'-P-C4' energy: -77.264
flat angles P-C4'-P energy: -55.305
tors. eta vs tors. theta energy: -88.468
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: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1043.793318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.793318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.793318 (E_RNA)
where:
Base-Base interactions energy: -702.310
where: short stacking energy: -296.267
Base-Backbone interact. energy: -1.181
local terms energy: -340.302766
where:
bonds (distance) C4'-P energy: -59.038
bonds (distance) P-C4' energy: -72.484
flat angles C4'-P-C4' energy: -73.254
flat angles P-C4'-P energy: -51.106
tors. eta vs tors. theta energy: -84.420
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: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -930.099731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.099731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.099731 (E_RNA)
where:
Base-Base interactions energy: -640.019
where: short stacking energy: -273.341
Base-Backbone interact. energy: -1.902
local terms energy: -288.178976
where:
bonds (distance) C4'-P energy: -57.479
bonds (distance) P-C4' energy: -68.842
flat angles C4'-P-C4' energy: -67.348
flat angles P-C4'-P energy: -34.873
tors. eta vs tors. theta energy: -59.637
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: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -699.455749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.455749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.455749 (E_RNA)
where:
Base-Base interactions energy: -441.456
where: short stacking energy: -222.667
Base-Backbone interact. energy: -2.543
local terms energy: -255.456648
where:
bonds (distance) C4'-P energy: -53.268
bonds (distance) P-C4' energy: -52.465
flat angles C4'-P-C4' energy: -57.933
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -46.851
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: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1471.607661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.607661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.607661 (E_RNA)
where:
Base-Base interactions energy: -1045.047
where: short stacking energy: -422.792
Base-Backbone interact. energy: 0.343
local terms energy: -426.903145
where:
bonds (distance) C4'-P energy: -66.610
bonds (distance) P-C4' energy: -79.923
flat angles C4'-P-C4' energy: -88.747
flat angles P-C4'-P energy: -62.062
tors. eta vs tors. theta energy: -129.560
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: 450
Temperature: 0.950000
Total energy: -1357.538751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.538751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.538751 (E_RNA)
where:
Base-Base interactions energy: -956.544
where: short stacking energy: -400.370
Base-Backbone interact. energy: -1.199
local terms energy: -399.795548
where:
bonds (distance) C4'-P energy: -65.124
bonds (distance) P-C4' energy: -74.946
flat angles C4'-P-C4' energy: -82.353
flat angles P-C4'-P energy: -58.456
tors. eta vs tors. theta energy: -118.916
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: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1343.201844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.201844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.201844 (E_RNA)
where:
Base-Base interactions energy: -943.588
where: short stacking energy: -374.277
Base-Backbone interact. energy: -2.414
local terms energy: -397.199840
where:
bonds (distance) C4'-P energy: -79.308
bonds (distance) P-C4' energy: -73.017
flat angles C4'-P-C4' energy: -78.930
flat angles P-C4'-P energy: -57.038
tors. eta vs tors. theta energy: -108.907
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: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1281.364091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.364091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.364091 (E_RNA)
where:
Base-Base interactions energy: -905.032
where: short stacking energy: -381.497
Base-Backbone interact. energy: 0.500
local terms energy: -376.832042
where:
bonds (distance) C4'-P energy: -71.511
bonds (distance) P-C4' energy: -67.627
flat angles C4'-P-C4' energy: -79.003
flat angles P-C4'-P energy: -52.402
tors. eta vs tors. theta energy: -106.288
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: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1224.955497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.955497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.955497 (E_RNA)
where:
Base-Base interactions energy: -889.566
where: short stacking energy: -332.058
Base-Backbone interact. energy: -2.946
local terms energy: -332.443590
where:
bonds (distance) C4'-P energy: -64.651
bonds (distance) P-C4' energy: -69.302
flat angles C4'-P-C4' energy: -64.676
flat angles P-C4'-P energy: -48.712
tors. eta vs tors. theta energy: -85.103
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: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1143.513660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.513660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.513660 (E_RNA)
where:
Base-Base interactions energy: -797.340
where: short stacking energy: -330.445
Base-Backbone interact. energy: -0.070
local terms energy: -346.103913
where:
bonds (distance) C4'-P energy: -69.540
bonds (distance) P-C4' energy: -61.605
flat angles C4'-P-C4' energy: -82.691
flat angles P-C4'-P energy: -44.643
tors. eta vs tors. theta energy: -87.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1082.525047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.525047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.525047 (E_RNA)
where:
Base-Base interactions energy: -737.474
where: short stacking energy: -320.198
Base-Backbone interact. energy: -1.396
local terms energy: -343.655320
where:
bonds (distance) C4'-P energy: -55.379
bonds (distance) P-C4' energy: -70.132
flat angles C4'-P-C4' energy: -71.143
flat angles P-C4'-P energy: -57.835
tors. eta vs tors. theta energy: -89.166
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: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1046.044423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.044423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.044423 (E_RNA)
where:
Base-Base interactions energy: -739.187
where: short stacking energy: -299.627
Base-Backbone interact. energy: 0.240
local terms energy: -307.096927
where:
bonds (distance) C4'-P energy: -45.644
bonds (distance) P-C4' energy: -56.203
flat angles C4'-P-C4' energy: -71.607
flat angles P-C4'-P energy: -49.060
tors. eta vs tors. theta energy: -84.582
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: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -929.153390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.153390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.153390 (E_RNA)
where:
Base-Base interactions energy: -645.898
where: short stacking energy: -269.915
Base-Backbone interact. energy: -1.005
local terms energy: -282.250258
where:
bonds (distance) C4'-P energy: -57.521
bonds (distance) P-C4' energy: -72.541
flat angles C4'-P-C4' energy: -64.875
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -67.912
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: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -705.251786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.251786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.251786 (E_RNA)
where:
Base-Base interactions energy: -442.397
where: short stacking energy: -216.688
Base-Backbone interact. energy: -1.310
local terms energy: -261.544816
where:
bonds (distance) C4'-P energy: -64.534
bonds (distance) P-C4' energy: -68.832
flat angles C4'-P-C4' energy: -67.847
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -43.103
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: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1472.885708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.885708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.885708 (E_RNA)
where:
Base-Base interactions energy: -1052.416
where: short stacking energy: -436.881
Base-Backbone interact. energy: -0.461
local terms energy: -420.008477
where:
bonds (distance) C4'-P energy: -65.777
bonds (distance) P-C4' energy: -71.978
flat angles C4'-P-C4' energy: -92.462
flat angles P-C4'-P energy: -62.264
tors. eta vs tors. theta energy: -127.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1346.731193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.731193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.731193 (E_RNA)
where:
Base-Base interactions energy: -961.401
where: short stacking energy: -398.980
Base-Backbone interact. energy: -0.430
local terms energy: -384.900297
where:
bonds (distance) C4'-P energy: -69.970
bonds (distance) P-C4' energy: -73.546
flat angles C4'-P-C4' energy: -79.117
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -113.616
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: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1300.876318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.876318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.876318 (E_RNA)
where:
Base-Base interactions energy: -920.813
where: short stacking energy: -382.515
Base-Backbone interact. energy: -2.951
local terms energy: -377.111988
where:
bonds (distance) C4'-P energy: -58.426
bonds (distance) P-C4' energy: -74.531
flat angles C4'-P-C4' energy: -82.975
flat angles P-C4'-P energy: -53.121
tors. eta vs tors. theta energy: -108.059
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: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1278.925073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.925073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.925073 (E_RNA)
where:
Base-Base interactions energy: -895.167
where: short stacking energy: -379.265
Base-Backbone interact. energy: -0.368
local terms energy: -383.389393
where:
bonds (distance) C4'-P energy: -69.202
bonds (distance) P-C4' energy: -70.549
flat angles C4'-P-C4' energy: -86.111
flat angles P-C4'-P energy: -58.114
tors. eta vs tors. theta energy: -99.413
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1226.011000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.011000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.011000 (E_RNA)
where:
Base-Base interactions energy: -857.932
where: short stacking energy: -341.471
Base-Backbone interact. energy: -2.303
local terms energy: -365.775299
where:
bonds (distance) C4'-P energy: -64.040
bonds (distance) P-C4' energy: -79.239
flat angles C4'-P-C4' energy: -80.202
flat angles P-C4'-P energy: -52.430
tors. eta vs tors. theta energy: -89.865
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: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1172.259516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.259516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.259516 (E_RNA)
where:
Base-Base interactions energy: -789.388
where: short stacking energy: -348.089
Base-Backbone interact. energy: -1.394
local terms energy: -381.477516
where:
bonds (distance) C4'-P energy: -68.479
bonds (distance) P-C4' energy: -82.995
flat angles C4'-P-C4' energy: -80.577
flat angles P-C4'-P energy: -49.068
tors. eta vs tors. theta energy: -100.359
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: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1068.408541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.408541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.408541 (E_RNA)
where:
Base-Base interactions energy: -742.384
where: short stacking energy: -315.670
Base-Backbone interact. energy: -0.034
local terms energy: -325.990183
where:
bonds (distance) C4'-P energy: -63.991
bonds (distance) P-C4' energy: -74.869
flat angles C4'-P-C4' energy: -63.499
flat angles P-C4'-P energy: -36.284
tors. eta vs tors. theta energy: -87.347
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: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1020.254808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.254808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.254808 (E_RNA)
where:
Base-Base interactions energy: -735.059
where: short stacking energy: -301.519
Base-Backbone interact. energy: -0.548
local terms energy: -284.647209
where:
bonds (distance) C4'-P energy: -60.417
bonds (distance) P-C4' energy: -62.399
flat angles C4'-P-C4' energy: -52.606
flat angles P-C4'-P energy: -42.882
tors. eta vs tors. theta energy: -66.342
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: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -955.475059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.475059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.475059 (E_RNA)
where:
Base-Base interactions energy: -661.371
where: short stacking energy: -275.736
Base-Backbone interact. energy: 0.152
local terms energy: -294.255911
where:
bonds (distance) C4'-P energy: -68.419
bonds (distance) P-C4' energy: -51.156
flat angles C4'-P-C4' energy: -52.950
flat angles P-C4'-P energy: -49.669
tors. eta vs tors. theta energy: -72.062
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: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -669.790922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.790922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.790922 (E_RNA)
where:
Base-Base interactions energy: -447.351
where: short stacking energy: -202.834
Base-Backbone interact. energy: -2.024
local terms energy: -220.415355
where:
bonds (distance) C4'-P energy: -44.157
bonds (distance) P-C4' energy: -56.429
flat angles C4'-P-C4' energy: -54.130
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -34.657
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: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1481.947211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.947211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.947211 (E_RNA)
where:
Base-Base interactions energy: -1051.107
where: short stacking energy: -427.059
Base-Backbone interact. energy: -0.786
local terms energy: -430.053482
where:
bonds (distance) C4'-P energy: -75.615
bonds (distance) P-C4' energy: -77.609
flat angles C4'-P-C4' energy: -90.635
flat angles P-C4'-P energy: -64.684
tors. eta vs tors. theta energy: -121.511
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: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1342.585353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.585353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.585353 (E_RNA)
where:
Base-Base interactions energy: -947.167
where: short stacking energy: -385.204
Base-Backbone interact. energy: -2.702
local terms energy: -392.716510
where:
bonds (distance) C4'-P energy: -74.701
bonds (distance) P-C4' energy: -79.447
flat angles C4'-P-C4' energy: -76.353
flat angles P-C4'-P energy: -52.527
tors. eta vs tors. theta energy: -109.688
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: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1305.762821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.762821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.762821 (E_RNA)
where:
Base-Base interactions energy: -917.634
where: short stacking energy: -384.721
Base-Backbone interact. energy: -1.108
local terms energy: -387.020393
where:
bonds (distance) C4'-P energy: -68.752
bonds (distance) P-C4' energy: -65.399
flat angles C4'-P-C4' energy: -87.459
flat angles P-C4'-P energy: -51.570
tors. eta vs tors. theta energy: -113.841
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: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1265.840003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.840003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.840003 (E_RNA)
where:
Base-Base interactions energy: -885.400
where: short stacking energy: -366.000
Base-Backbone interact. energy: -1.010
local terms energy: -379.429352
where:
bonds (distance) C4'-P energy: -68.596
bonds (distance) P-C4' energy: -69.356
flat angles C4'-P-C4' energy: -80.538
flat angles P-C4'-P energy: -53.193
tors. eta vs tors. theta energy: -107.747
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: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1258.417590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.417590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.417590 (E_RNA)
where:
Base-Base interactions energy: -912.393
where: short stacking energy: -347.992
Base-Backbone interact. energy: -1.084
local terms energy: -344.939788
where:
bonds (distance) C4'-P energy: -66.624
bonds (distance) P-C4' energy: -72.539
flat angles C4'-P-C4' energy: -70.351
flat angles P-C4'-P energy: -45.319
tors. eta vs tors. theta energy: -90.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1164.923708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.923708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.923708 (E_RNA)
where:
Base-Base interactions energy: -801.260
where: short stacking energy: -353.707
Base-Backbone interact. energy: 1.973
local terms energy: -365.637111
where:
bonds (distance) C4'-P energy: -71.414
bonds (distance) P-C4' energy: -64.763
flat angles C4'-P-C4' energy: -72.521
flat angles P-C4'-P energy: -53.841
tors. eta vs tors. theta energy: -103.097
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: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1077.485112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.485112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.485112 (E_RNA)
where:
Base-Base interactions energy: -767.385
where: short stacking energy: -313.866
Base-Backbone interact. energy: -1.158
local terms energy: -308.941484
where:
bonds (distance) C4'-P energy: -63.342
bonds (distance) P-C4' energy: -59.838
flat angles C4'-P-C4' energy: -70.139
flat angles P-C4'-P energy: -44.652
tors. eta vs tors. theta energy: -70.970
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: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1025.440564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.440564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.440564 (E_RNA)
where:
Base-Base interactions energy: -721.258
where: short stacking energy: -303.352
Base-Backbone interact. energy: -0.557
local terms energy: -303.625674
where:
bonds (distance) C4'-P energy: -58.403
bonds (distance) P-C4' energy: -59.850
flat angles C4'-P-C4' energy: -65.405
flat angles P-C4'-P energy: -37.239
tors. eta vs tors. theta energy: -82.729
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: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -946.601224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.601224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.601224 (E_RNA)
where:
Base-Base interactions energy: -650.840
where: short stacking energy: -277.541
Base-Backbone interact. energy: -1.234
local terms energy: -294.527498
where:
bonds (distance) C4'-P energy: -65.809
bonds (distance) P-C4' energy: -63.404
flat angles C4'-P-C4' energy: -66.685
flat angles P-C4'-P energy: -33.316
tors. eta vs tors. theta energy: -65.313
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: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -667.699681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.699681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.699681 (E_RNA)
where:
Base-Base interactions energy: -412.132
where: short stacking energy: -199.349
Base-Backbone interact. energy: -0.319
local terms energy: -255.249153
where:
bonds (distance) C4'-P energy: -56.296
bonds (distance) P-C4' energy: -69.773
flat angles C4'-P-C4' energy: -63.265
flat angles P-C4'-P energy: -38.103
tors. eta vs tors. theta energy: -27.813
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: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1471.029878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.029878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.029878 (E_RNA)
where:
Base-Base interactions energy: -1049.612
where: short stacking energy: -425.367
Base-Backbone interact. energy: -2.345
local terms energy: -419.073732
where:
bonds (distance) C4'-P energy: -74.583
bonds (distance) P-C4' energy: -73.197
flat angles C4'-P-C4' energy: -86.442
flat angles P-C4'-P energy: -63.598
tors. eta vs tors. theta energy: -121.255
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: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1350.088015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.088015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.088015 (E_RNA)
where:
Base-Base interactions energy: -941.880
where: short stacking energy: -383.754
Base-Backbone interact. energy: -1.355
local terms energy: -406.852998
where:
bonds (distance) C4'-P energy: -79.189
bonds (distance) P-C4' energy: -78.179
flat angles C4'-P-C4' energy: -81.352
flat angles P-C4'-P energy: -57.231
tors. eta vs tors. theta energy: -110.901
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: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1313.945699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.945699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.945699 (E_RNA)
where:
Base-Base interactions energy: -926.537
where: short stacking energy: -388.797
Base-Backbone interact. energy: -0.658
local terms energy: -386.751556
where:
bonds (distance) C4'-P energy: -67.127
bonds (distance) P-C4' energy: -72.686
flat angles C4'-P-C4' energy: -83.767
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: -111.579
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: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1282.177363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.177363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.177363 (E_RNA)
where:
Base-Base interactions energy: -910.672
where: short stacking energy: -406.202
Base-Backbone interact. energy: -1.906
local terms energy: -369.599350
where:
bonds (distance) C4'-P energy: -63.215
bonds (distance) P-C4' energy: -61.189
flat angles C4'-P-C4' energy: -81.827
flat angles P-C4'-P energy: -50.152
tors. eta vs tors. theta energy: -113.217
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: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1272.032767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.032767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.032767 (E_RNA)
where:
Base-Base interactions energy: -902.329
where: short stacking energy: -341.032
Base-Backbone interact. energy: -1.183
local terms energy: -368.519916
where:
bonds (distance) C4'-P energy: -70.988
bonds (distance) P-C4' energy: -66.321
flat angles C4'-P-C4' energy: -80.147
flat angles P-C4'-P energy: -54.645
tors. eta vs tors. theta energy: -96.419
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: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1172.227273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.227273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.227273 (E_RNA)
where:
Base-Base interactions energy: -819.189
where: short stacking energy: -371.485
Base-Backbone interact. energy: -0.221
local terms energy: -352.817319
where:
bonds (distance) C4'-P energy: -52.371
bonds (distance) P-C4' energy: -66.571
flat angles C4'-P-C4' energy: -74.269
flat angles P-C4'-P energy: -52.056
tors. eta vs tors. theta energy: -107.550
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: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1050.907801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.907801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.907801 (E_RNA)
where:
Base-Base interactions energy: -730.712
where: short stacking energy: -292.274
Base-Backbone interact. energy: -1.054
local terms energy: -319.142101
where:
bonds (distance) C4'-P energy: -61.258
bonds (distance) P-C4' energy: -67.014
flat angles C4'-P-C4' energy: -66.996
flat angles P-C4'-P energy: -48.256
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: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1031.454079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.454079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.454079 (E_RNA)
where:
Base-Base interactions energy: -705.919
where: short stacking energy: -298.611
Base-Backbone interact. energy: -0.860
local terms energy: -324.675679
where:
bonds (distance) C4'-P energy: -72.222
bonds (distance) P-C4' energy: -76.662
flat angles C4'-P-C4' energy: -65.900
flat angles P-C4'-P energy: -32.766
tors. eta vs tors. theta energy: -77.125
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: 453
Temperature: 1.300000
Total energy: -967.373766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.373766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.373766 (E_RNA)
where:
Base-Base interactions energy: -648.013
where: short stacking energy: -280.178
Base-Backbone interact. energy: -1.767
local terms energy: -317.593572
where:
bonds (distance) C4'-P energy: -67.334
bonds (distance) P-C4' energy: -58.866
flat angles C4'-P-C4' energy: -72.086
flat angles P-C4'-P energy: -39.670
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: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -613.385655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.385655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.385655 (E_RNA)
where:
Base-Base interactions energy: -394.472
where: short stacking energy: -191.667
Base-Backbone interact. energy: -1.810
local terms energy: -217.103905
where:
bonds (distance) C4'-P energy: -67.008
bonds (distance) P-C4' energy: -50.373
flat angles C4'-P-C4' energy: -52.352
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -17.461
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: 1, replica: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1463.051983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.051983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.051983 (E_RNA)
where:
Base-Base interactions energy: -1052.607
where: short stacking energy: -434.609
Base-Backbone interact. energy: -0.514
local terms energy: -409.931004
where:
bonds (distance) C4'-P energy: -62.157
bonds (distance) P-C4' energy: -80.591
flat angles C4'-P-C4' energy: -87.324
flat angles P-C4'-P energy: -55.291
tors. eta vs tors. theta energy: -124.568
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: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1347.221368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.221368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.221368 (E_RNA)
where:
Base-Base interactions energy: -962.412
where: short stacking energy: -387.325
Base-Backbone interact. energy: -1.292
local terms energy: -383.516955
where:
bonds (distance) C4'-P energy: -64.872
bonds (distance) P-C4' energy: -67.820
flat angles C4'-P-C4' energy: -87.555
flat angles P-C4'-P energy: -54.868
tors. eta vs tors. theta energy: -108.403
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: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1321.614204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.614204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.614204 (E_RNA)
where:
Base-Base interactions energy: -933.807
where: short stacking energy: -382.528
Base-Backbone interact. energy: -1.208
local terms energy: -386.598954
where:
bonds (distance) C4'-P energy: -71.251
bonds (distance) P-C4' energy: -77.496
flat angles C4'-P-C4' energy: -78.631
flat angles P-C4'-P energy: -46.527
tors. eta vs tors. theta energy: -112.694
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: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1272.475145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.475145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.475145 (E_RNA)
where:
Base-Base interactions energy: -890.722
where: short stacking energy: -374.447
Base-Backbone interact. energy: -1.767
local terms energy: -379.985839
where:
bonds (distance) C4'-P energy: -67.554
bonds (distance) P-C4' energy: -73.221
flat angles C4'-P-C4' energy: -85.433
flat angles P-C4'-P energy: -51.169
tors. eta vs tors. theta energy: -102.609
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: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1311.066824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.066824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.066824 (E_RNA)
where:
Base-Base interactions energy: -944.785
where: short stacking energy: -387.530
Base-Backbone interact. energy: 2.683
local terms energy: -368.964554
where:
bonds (distance) C4'-P energy: -65.275
bonds (distance) P-C4' energy: -75.429
flat angles C4'-P-C4' energy: -77.100
flat angles P-C4'-P energy: -53.471
tors. eta vs tors. theta energy: -97.689
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: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1184.237789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.237789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.237789 (E_RNA)
where:
Base-Base interactions energy: -823.163
where: short stacking energy: -363.219
Base-Backbone interact. energy: -2.443
local terms energy: -358.631401
where:
bonds (distance) C4'-P energy: -62.882
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -77.669
flat angles P-C4'-P energy: -50.929
tors. eta vs tors. theta energy: -103.812
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: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1080.182303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.182303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.182303 (E_RNA)
where:
Base-Base interactions energy: -750.084
where: short stacking energy: -311.338
Base-Backbone interact. energy: -1.016
local terms energy: -329.082026
where:
bonds (distance) C4'-P energy: -52.907
bonds (distance) P-C4' energy: -70.647
flat angles C4'-P-C4' energy: -83.058
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -75.574
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: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1061.865401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.865401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.865401 (E_RNA)
where:
Base-Base interactions energy: -730.120
where: short stacking energy: -313.219
Base-Backbone interact. energy: -1.442
local terms energy: -330.303318
where:
bonds (distance) C4'-P energy: -58.840
bonds (distance) P-C4' energy: -67.871
flat angles C4'-P-C4' energy: -64.957
flat angles P-C4'-P energy: -51.049
tors. eta vs tors. theta energy: -87.586
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: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -930.605935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.605935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.605935 (E_RNA)
where:
Base-Base interactions energy: -650.635
where: short stacking energy: -264.898
Base-Backbone interact. energy: 4.396
local terms energy: -284.367059
where:
bonds (distance) C4'-P energy: -56.219
bonds (distance) P-C4' energy: -70.416
flat angles C4'-P-C4' energy: -57.796
flat angles P-C4'-P energy: -44.021
tors. eta vs tors. theta energy: -55.914
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: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -629.714241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.714241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.714241 (E_RNA)
where:
Base-Base interactions energy: -374.311
where: short stacking energy: -186.759
Base-Backbone interact. energy: -1.015
local terms energy: -254.387890
where:
bonds (distance) C4'-P energy: -56.426
bonds (distance) P-C4' energy: -67.849
flat angles C4'-P-C4' energy: -57.024
flat angles P-C4'-P energy: -36.229
tors. eta vs tors. theta energy: -36.860
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: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1469.575043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.575043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.575043 (E_RNA)
where:
Base-Base interactions energy: -1050.782
where: short stacking energy: -439.333
Base-Backbone interact. energy: -0.147
local terms energy: -418.645985
where:
bonds (distance) C4'-P energy: -72.810
bonds (distance) P-C4' energy: -76.090
flat angles C4'-P-C4' energy: -86.584
flat angles P-C4'-P energy: -62.684
tors. eta vs tors. theta energy: -120.478
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: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1358.606592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.606592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.606592 (E_RNA)
where:
Base-Base interactions energy: -953.655
where: short stacking energy: -383.681
Base-Backbone interact. energy: -0.847
local terms energy: -404.105030
where:
bonds (distance) C4'-P energy: -68.432
bonds (distance) P-C4' energy: -79.537
flat angles C4'-P-C4' energy: -89.375
flat angles P-C4'-P energy: -57.786
tors. eta vs tors. theta energy: -108.975
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: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1319.696086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.696086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.696086 (E_RNA)
where:
Base-Base interactions energy: -919.848
where: short stacking energy: -389.205
Base-Backbone interact. energy: 0.948
local terms energy: -400.795620
where:
bonds (distance) C4'-P energy: -76.934
bonds (distance) P-C4' energy: -76.817
flat angles C4'-P-C4' energy: -86.706
flat angles P-C4'-P energy: -49.871
tors. eta vs tors. theta energy: -110.468
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: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1260.836666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.836666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.836666 (E_RNA)
where:
Base-Base interactions energy: -895.041
where: short stacking energy: -369.583
Base-Backbone interact. energy: 1.677
local terms energy: -367.473349
where:
bonds (distance) C4'-P energy: -73.615
bonds (distance) P-C4' energy: -77.814
flat angles C4'-P-C4' energy: -70.633
flat angles P-C4'-P energy: -54.883
tors. eta vs tors. theta energy: -90.529
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: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1269.148765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.148765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.148765 (E_RNA)
where:
Base-Base interactions energy: -889.842
where: short stacking energy: -390.123
Base-Backbone interact. energy: 2.664
local terms energy: -381.970521
where:
bonds (distance) C4'-P energy: -78.768
bonds (distance) P-C4' energy: -76.434
flat angles C4'-P-C4' energy: -75.370
flat angles P-C4'-P energy: -50.123
tors. eta vs tors. theta energy: -101.276
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: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1173.995495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.995495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.995495 (E_RNA)
where:
Base-Base interactions energy: -828.335
where: short stacking energy: -343.938
Base-Backbone interact. energy: -0.467
local terms energy: -345.193434
where:
bonds (distance) C4'-P energy: -62.474
bonds (distance) P-C4' energy: -73.320
flat angles C4'-P-C4' energy: -77.280
flat angles P-C4'-P energy: -38.725
tors. eta vs tors. theta energy: -93.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1082.157784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.157784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.157784 (E_RNA)
where:
Base-Base interactions energy: -757.402
where: short stacking energy: -300.008
Base-Backbone interact. energy: -0.753
local terms energy: -324.002616
where:
bonds (distance) C4'-P energy: -61.404
bonds (distance) P-C4' energy: -61.864
flat angles C4'-P-C4' energy: -69.920
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: -85.685
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: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1036.665307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.665307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.665307 (E_RNA)
where:
Base-Base interactions energy: -709.438
where: short stacking energy: -304.232
Base-Backbone interact. energy: 2.419
local terms energy: -329.646354
where:
bonds (distance) C4'-P energy: -67.109
bonds (distance) P-C4' energy: -64.206
flat angles C4'-P-C4' energy: -82.361
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -76.749
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: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -894.474520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.474520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.474520 (E_RNA)
where:
Base-Base interactions energy: -613.434
where: short stacking energy: -246.779
Base-Backbone interact. energy: -2.100
local terms energy: -278.940201
where:
bonds (distance) C4'-P energy: -56.651
bonds (distance) P-C4' energy: -56.813
flat angles C4'-P-C4' energy: -61.059
flat angles P-C4'-P energy: -48.631
tors. eta vs tors. theta energy: -55.786
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: 10, replica: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -713.066879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.066879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.066879 (E_RNA)
where:
Base-Base interactions energy: -443.730
where: short stacking energy: -198.688
Base-Backbone interact. energy: -0.727
local terms energy: -268.609629
where:
bonds (distance) C4'-P energy: -48.151
bonds (distance) P-C4' energy: -70.042
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -41.562
tors. eta vs tors. theta energy: -50.105
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: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1474.315296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.315296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.315296 (E_RNA)
where:
Base-Base interactions energy: -1056.671
where: short stacking energy: -432.612
Base-Backbone interact. energy: -0.477
local terms energy: -417.167797
where:
bonds (distance) C4'-P energy: -73.650
bonds (distance) P-C4' energy: -86.650
flat angles C4'-P-C4' energy: -82.802
flat angles P-C4'-P energy: -54.469
tors. eta vs tors. theta energy: -119.596
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: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1353.855958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.855958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.855958 (E_RNA)
where:
Base-Base interactions energy: -957.460
where: short stacking energy: -397.709
Base-Backbone interact. energy: -1.298
local terms energy: -395.097776
where:
bonds (distance) C4'-P energy: -70.589
bonds (distance) P-C4' energy: -75.228
flat angles C4'-P-C4' energy: -85.485
flat angles P-C4'-P energy: -57.861
tors. eta vs tors. theta energy: -105.935
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: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1313.849992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.849992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.849992 (E_RNA)
where:
Base-Base interactions energy: -921.130
where: short stacking energy: -391.768
Base-Backbone interact. energy: -1.979
local terms energy: -390.740433
where:
bonds (distance) C4'-P energy: -69.599
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -76.210
flat angles P-C4'-P energy: -54.363
tors. eta vs tors. theta energy: -115.141
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: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1263.871243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.871243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.871243 (E_RNA)
where:
Base-Base interactions energy: -917.633
where: short stacking energy: -371.169
Base-Backbone interact. energy: 2.157
local terms energy: -348.395845
where:
bonds (distance) C4'-P energy: -68.706
bonds (distance) P-C4' energy: -60.324
flat angles C4'-P-C4' energy: -87.514
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: -91.102
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: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1240.519404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.519404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.519404 (E_RNA)
where:
Base-Base interactions energy: -883.285
where: short stacking energy: -375.875
Base-Backbone interact. energy: -2.307
local terms energy: -354.926926
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -65.920
flat angles C4'-P-C4' energy: -81.064
flat angles P-C4'-P energy: -47.041
tors. eta vs tors. theta energy: -106.863
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: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1189.390693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.390693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.390693 (E_RNA)
where:
Base-Base interactions energy: -829.455
where: short stacking energy: -352.947
Base-Backbone interact. energy: 1.758
local terms energy: -361.694211
where:
bonds (distance) C4'-P energy: -64.888
bonds (distance) P-C4' energy: -63.372
flat angles C4'-P-C4' energy: -78.843
flat angles P-C4'-P energy: -48.409
tors. eta vs tors. theta energy: -106.183
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: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1054.860398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.860398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.860398 (E_RNA)
where:
Base-Base interactions energy: -706.521
where: short stacking energy: -310.984
Base-Backbone interact. energy: -1.149
local terms energy: -347.190902
where:
bonds (distance) C4'-P energy: -67.375
bonds (distance) P-C4' energy: -71.129
flat angles C4'-P-C4' energy: -75.942
flat angles P-C4'-P energy: -48.987
tors. eta vs tors. theta energy: -83.758
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: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1039.292513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.292513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.292513 (E_RNA)
where:
Base-Base interactions energy: -728.276
where: short stacking energy: -294.542
Base-Backbone interact. energy: 0.007
local terms energy: -311.023972
where:
bonds (distance) C4'-P energy: -56.697
bonds (distance) P-C4' energy: -70.964
flat angles C4'-P-C4' energy: -72.931
flat angles P-C4'-P energy: -32.776
tors. eta vs tors. theta energy: -77.656
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: 456
Temperature: 1.300000
Total energy: -919.258470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.258470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.258470 (E_RNA)
where:
Base-Base interactions energy: -624.530
where: short stacking energy: -260.399
Base-Backbone interact. energy: 0.161
local terms energy: -294.889506
where:
bonds (distance) C4'-P energy: -65.188
bonds (distance) P-C4' energy: -64.775
flat angles C4'-P-C4' energy: -68.702
flat angles P-C4'-P energy: -38.443
tors. eta vs tors. theta energy: -57.782
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: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -705.943908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.943908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.943908 (E_RNA)
where:
Base-Base interactions energy: -439.300
where: short stacking energy: -221.257
Base-Backbone interact. energy: 1.580
local terms energy: -268.223945
where:
bonds (distance) C4'-P energy: -64.142
bonds (distance) P-C4' energy: -50.908
flat angles C4'-P-C4' energy: -71.131
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -39.833
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: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1477.881131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.881131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.881131 (E_RNA)
where:
Base-Base interactions energy: -1076.368
where: short stacking energy: -439.643
Base-Backbone interact. energy: -0.239
local terms energy: -401.274723
where:
bonds (distance) C4'-P energy: -74.363
bonds (distance) P-C4' energy: -61.913
flat angles C4'-P-C4' energy: -87.159
flat angles P-C4'-P energy: -52.721
tors. eta vs tors. theta energy: -125.119
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: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1357.726447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.726447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.726447 (E_RNA)
where:
Base-Base interactions energy: -959.952
where: short stacking energy: -398.750
Base-Backbone interact. energy: 4.414
local terms energy: -402.188589
where:
bonds (distance) C4'-P energy: -75.276
bonds (distance) P-C4' energy: -80.291
flat angles C4'-P-C4' energy: -79.832
flat angles P-C4'-P energy: -57.909
tors. eta vs tors. theta energy: -108.880
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: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1295.438566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.438566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.438566 (E_RNA)
where:
Base-Base interactions energy: -907.313
where: short stacking energy: -400.283
Base-Backbone interact. energy: 5.153
local terms energy: -393.279257
where:
bonds (distance) C4'-P energy: -69.541
bonds (distance) P-C4' energy: -60.471
flat angles C4'-P-C4' energy: -86.413
flat angles P-C4'-P energy: -65.748
tors. eta vs tors. theta energy: -111.105
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: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1252.704417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.704417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.704417 (E_RNA)
where:
Base-Base interactions energy: -876.590
where: short stacking energy: -356.161
Base-Backbone interact. energy: -0.002
local terms energy: -376.111683
where:
bonds (distance) C4'-P energy: -72.874
bonds (distance) P-C4' energy: -54.266
flat angles C4'-P-C4' energy: -87.671
flat angles P-C4'-P energy: -62.365
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: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1240.927570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.927570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.927570 (E_RNA)
where:
Base-Base interactions energy: -877.012
where: short stacking energy: -364.489
Base-Backbone interact. energy: -1.082
local terms energy: -362.833285
where:
bonds (distance) C4'-P energy: -71.758
bonds (distance) P-C4' energy: -66.096
flat angles C4'-P-C4' energy: -77.847
flat angles P-C4'-P energy: -49.344
tors. eta vs tors. theta energy: -97.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1161.604653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.604653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.604653 (E_RNA)
where:
Base-Base interactions energy: -826.966
where: short stacking energy: -343.387
Base-Backbone interact. energy: 0.626
local terms energy: -335.264331
where:
bonds (distance) C4'-P energy: -64.216
bonds (distance) P-C4' energy: -53.704
flat angles C4'-P-C4' energy: -78.198
flat angles P-C4'-P energy: -48.171
tors. eta vs tors. theta energy: -90.975
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: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1055.711661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.711661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.711661 (E_RNA)
where:
Base-Base interactions energy: -724.506
where: short stacking energy: -299.093
Base-Backbone interact. energy: -1.078
local terms energy: -330.127741
where:
bonds (distance) C4'-P energy: -66.086
bonds (distance) P-C4' energy: -76.220
flat angles C4'-P-C4' energy: -65.499
flat angles P-C4'-P energy: -47.354
tors. eta vs tors. theta energy: -74.968
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: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1051.656400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.656400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.656400 (E_RNA)
where:
Base-Base interactions energy: -717.502
where: short stacking energy: -292.268
Base-Backbone interact. energy: -0.713
local terms energy: -333.441324
where:
bonds (distance) C4'-P energy: -63.957
bonds (distance) P-C4' energy: -79.280
flat angles C4'-P-C4' energy: -68.364
flat angles P-C4'-P energy: -44.858
tors. eta vs tors. theta energy: -76.982
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: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -902.040417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.040417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.040417 (E_RNA)
where:
Base-Base interactions energy: -647.818
where: short stacking energy: -268.872
Base-Backbone interact. energy: -1.860
local terms energy: -252.362594
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -44.949
flat angles C4'-P-C4' energy: -68.949
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -60.904
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: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -660.591575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.591575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.591575 (E_RNA)
where:
Base-Base interactions energy: -405.981
where: short stacking energy: -195.433
Base-Backbone interact. energy: -2.988
local terms energy: -251.622404
where:
bonds (distance) C4'-P energy: -67.822
bonds (distance) P-C4' energy: -66.874
flat angles C4'-P-C4' energy: -57.985
flat angles P-C4'-P energy: -28.414
tors. eta vs tors. theta energy: -30.527
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: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1483.651100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.651100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.651100 (E_RNA)
where:
Base-Base interactions energy: -1047.323
where: short stacking energy: -438.274
Base-Backbone interact. energy: -0.810
local terms energy: -435.518097
where:
bonds (distance) C4'-P energy: -74.313
bonds (distance) P-C4' energy: -72.386
flat angles C4'-P-C4' energy: -94.063
flat angles P-C4'-P energy: -66.398
tors. eta vs tors. theta energy: -128.358
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: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1347.771456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.771456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.771456 (E_RNA)
where:
Base-Base interactions energy: -965.379
where: short stacking energy: -394.148
Base-Backbone interact. energy: -1.079
local terms energy: -381.314154
where:
bonds (distance) C4'-P energy: -59.383
bonds (distance) P-C4' energy: -78.091
flat angles C4'-P-C4' energy: -86.498
flat angles P-C4'-P energy: -52.305
tors. eta vs tors. theta energy: -105.038
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: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1301.410176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.410176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.410176 (E_RNA)
where:
Base-Base interactions energy: -903.868
where: short stacking energy: -376.010
Base-Backbone interact. energy: -0.239
local terms energy: -397.302804
where:
bonds (distance) C4'-P energy: -71.582
bonds (distance) P-C4' energy: -77.369
flat angles C4'-P-C4' energy: -85.704
flat angles P-C4'-P energy: -57.938
tors. eta vs tors. theta energy: -104.710
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: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1279.266910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.266910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.266910 (E_RNA)
where:
Base-Base interactions energy: -908.924
where: short stacking energy: -358.715
Base-Backbone interact. energy: -1.319
local terms energy: -369.023468
where:
bonds (distance) C4'-P energy: -61.537
bonds (distance) P-C4' energy: -70.677
flat angles C4'-P-C4' energy: -84.043
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -97.304
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: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1242.787627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.787627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.787627 (E_RNA)
where:
Base-Base interactions energy: -895.741
where: short stacking energy: -373.780
Base-Backbone interact. energy: 0.158
local terms energy: -347.204489
where:
bonds (distance) C4'-P energy: -58.920
bonds (distance) P-C4' energy: -75.502
flat angles C4'-P-C4' energy: -70.560
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -104.978
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: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1176.740188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.740188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.740188 (E_RNA)
where:
Base-Base interactions energy: -799.338
where: short stacking energy: -355.419
Base-Backbone interact. energy: -0.950
local terms energy: -376.451765
where:
bonds (distance) C4'-P energy: -72.037
bonds (distance) P-C4' energy: -71.414
flat angles C4'-P-C4' energy: -82.365
flat angles P-C4'-P energy: -51.887
tors. eta vs tors. theta energy: -98.749
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: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1051.226841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.226841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.226841 (E_RNA)
where:
Base-Base interactions energy: -728.772
where: short stacking energy: -306.095
Base-Backbone interact. energy: -0.297
local terms energy: -322.158120
where:
bonds (distance) C4'-P energy: -54.699
bonds (distance) P-C4' energy: -64.884
flat angles C4'-P-C4' energy: -72.803
flat angles P-C4'-P energy: -50.153
tors. eta vs tors. theta energy: -79.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1041.389287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.389287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.389287 (E_RNA)
where:
Base-Base interactions energy: -732.218
where: short stacking energy: -318.372
Base-Backbone interact. energy: -0.758
local terms energy: -308.413450
where:
bonds (distance) C4'-P energy: -61.624
bonds (distance) P-C4' energy: -66.232
flat angles C4'-P-C4' energy: -71.622
flat angles P-C4'-P energy: -26.844
tors. eta vs tors. theta energy: -82.091
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: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -931.612632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.612632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.612632 (E_RNA)
where:
Base-Base interactions energy: -626.564
where: short stacking energy: -252.038
Base-Backbone interact. energy: -1.124
local terms energy: -303.924120
where:
bonds (distance) C4'-P energy: -65.686
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -70.997
flat angles P-C4'-P energy: -36.889
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: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -649.808363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.808363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.808363 (E_RNA)
where:
Base-Base interactions energy: -397.088
where: short stacking energy: -187.670
Base-Backbone interact. energy: 0.235
local terms energy: -252.955665
where:
bonds (distance) C4'-P energy: -57.990
bonds (distance) P-C4' energy: -56.554
flat angles C4'-P-C4' energy: -66.392
flat angles P-C4'-P energy: -36.777
tors. eta vs tors. theta energy: -35.243
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: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1473.597895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.597895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.597895 (E_RNA)
where:
Base-Base interactions energy: -1055.517
where: short stacking energy: -435.317
Base-Backbone interact. energy: -1.181
local terms energy: -416.900022
where:
bonds (distance) C4'-P energy: -74.164
bonds (distance) P-C4' energy: -73.847
flat angles C4'-P-C4' energy: -82.963
flat angles P-C4'-P energy: -64.344
tors. eta vs tors. theta energy: -121.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1373.754451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.754451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.754451 (E_RNA)
where:
Base-Base interactions energy: -974.056
where: short stacking energy: -404.772
Base-Backbone interact. energy: -1.064
local terms energy: -398.634991
where:
bonds (distance) C4'-P energy: -70.726
bonds (distance) P-C4' energy: -69.588
flat angles C4'-P-C4' energy: -81.655
flat angles P-C4'-P energy: -62.300
tors. eta vs tors. theta energy: -114.366
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: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1306.501606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.501606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.501606 (E_RNA)
where:
Base-Base interactions energy: -904.417
where: short stacking energy: -377.224
Base-Backbone interact. energy: -1.234
local terms energy: -400.850915
where:
bonds (distance) C4'-P energy: -72.150
bonds (distance) P-C4' energy: -72.350
flat angles C4'-P-C4' energy: -87.947
flat angles P-C4'-P energy: -59.813
tors. eta vs tors. theta energy: -108.591
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: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1264.967007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.967007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.967007 (E_RNA)
where:
Base-Base interactions energy: -907.233
where: short stacking energy: -384.022
Base-Backbone interact. energy: -0.937
local terms energy: -356.797798
where:
bonds (distance) C4'-P energy: -65.401
bonds (distance) P-C4' energy: -62.259
flat angles C4'-P-C4' energy: -80.623
flat angles P-C4'-P energy: -51.495
tors. eta vs tors. theta energy: -97.020
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: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1266.811252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.811252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.811252 (E_RNA)
where:
Base-Base interactions energy: -904.000
where: short stacking energy: -368.109
Base-Backbone interact. energy: -3.279
local terms energy: -359.532972
where:
bonds (distance) C4'-P energy: -61.981
bonds (distance) P-C4' energy: -57.306
flat angles C4'-P-C4' energy: -86.465
flat angles P-C4'-P energy: -52.443
tors. eta vs tors. theta energy: -101.339
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: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1152.322142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.322142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.322142 (E_RNA)
where:
Base-Base interactions energy: -805.206
where: short stacking energy: -331.883
Base-Backbone interact. energy: 4.897
local terms energy: -352.013550
where:
bonds (distance) C4'-P energy: -63.102
bonds (distance) P-C4' energy: -59.447
flat angles C4'-P-C4' energy: -82.564
flat angles P-C4'-P energy: -56.738
tors. eta vs tors. theta energy: -90.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1055.251159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.251159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.251159 (E_RNA)
where:
Base-Base interactions energy: -730.400
where: short stacking energy: -312.719
Base-Backbone interact. energy: -0.153
local terms energy: -324.698022
where:
bonds (distance) C4'-P energy: -62.103
bonds (distance) P-C4' energy: -63.686
flat angles C4'-P-C4' energy: -76.635
flat angles P-C4'-P energy: -33.350
tors. eta vs tors. theta energy: -88.924
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: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -956.461707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.461707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.461707 (E_RNA)
where:
Base-Base interactions energy: -669.488
where: short stacking energy: -273.147
Base-Backbone interact. energy: -1.210
local terms energy: -285.763951
where:
bonds (distance) C4'-P energy: -56.641
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -72.014
flat angles P-C4'-P energy: -36.599
tors. eta vs tors. theta energy: -66.887
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: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -990.181381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.181381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.181381 (E_RNA)
where:
Base-Base interactions energy: -684.766
where: short stacking energy: -299.454
Base-Backbone interact. energy: -2.319
local terms energy: -303.096237
where:
bonds (distance) C4'-P energy: -59.237
bonds (distance) P-C4' energy: -68.263
flat angles C4'-P-C4' energy: -64.551
flat angles P-C4'-P energy: -34.975
tors. eta vs tors. theta energy: -76.071
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: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -647.238762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.238762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.238762 (E_RNA)
where:
Base-Base interactions energy: -408.808
where: short stacking energy: -182.221
Base-Backbone interact. energy: 0.028
local terms energy: -238.458668
where:
bonds (distance) C4'-P energy: -54.519
bonds (distance) P-C4' energy: -63.555
flat angles C4'-P-C4' energy: -62.797
flat angles P-C4'-P energy: -27.438
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: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1478.701336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.701336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.701336 (E_RNA)
where:
Base-Base interactions energy: -1048.629
where: short stacking energy: -448.391
Base-Backbone interact. energy: -0.296
local terms energy: -429.776610
where:
bonds (distance) C4'-P energy: -76.022
bonds (distance) P-C4' energy: -74.686
flat angles C4'-P-C4' energy: -94.463
flat angles P-C4'-P energy: -52.574
tors. eta vs tors. theta energy: -132.032
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: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1363.684015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.684015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.684015 (E_RNA)
where:
Base-Base interactions energy: -969.330
where: short stacking energy: -387.852
Base-Backbone interact. energy: -0.381
local terms energy: -393.972172
where:
bonds (distance) C4'-P energy: -58.806
bonds (distance) P-C4' energy: -76.213
flat angles C4'-P-C4' energy: -83.290
flat angles P-C4'-P energy: -57.585
tors. eta vs tors. theta energy: -118.078
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: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1302.983497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.983497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.983497 (E_RNA)
where:
Base-Base interactions energy: -909.456
where: short stacking energy: -397.699
Base-Backbone interact. energy: -1.318
local terms energy: -392.210118
where:
bonds (distance) C4'-P energy: -74.968
bonds (distance) P-C4' energy: -76.445
flat angles C4'-P-C4' energy: -80.580
flat angles P-C4'-P energy: -46.885
tors. eta vs tors. theta energy: -113.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1279.515387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.515387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.515387 (E_RNA)
where:
Base-Base interactions energy: -892.015
where: short stacking energy: -359.010
Base-Backbone interact. energy: -1.872
local terms energy: -385.628665
where:
bonds (distance) C4'-P energy: -66.336
bonds (distance) P-C4' energy: -69.299
flat angles C4'-P-C4' energy: -87.783
flat angles P-C4'-P energy: -55.416
tors. eta vs tors. theta energy: -106.794
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: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1242.938642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.938642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.938642 (E_RNA)
where:
Base-Base interactions energy: -885.393
where: short stacking energy: -351.173
Base-Backbone interact. energy: -0.897
local terms energy: -356.648678
where:
bonds (distance) C4'-P energy: -55.028
bonds (distance) P-C4' energy: -73.755
flat angles C4'-P-C4' energy: -78.430
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -99.793
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: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1175.924761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.924761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.924761 (E_RNA)
where:
Base-Base interactions energy: -837.685
where: short stacking energy: -338.826
Base-Backbone interact. energy: 1.490
local terms energy: -339.728896
where:
bonds (distance) C4'-P energy: -60.639
bonds (distance) P-C4' energy: -65.007
flat angles C4'-P-C4' energy: -77.878
flat angles P-C4'-P energy: -43.137
tors. eta vs tors. theta energy: -93.068
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: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1075.042505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.042505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.042505 (E_RNA)
where:
Base-Base interactions energy: -747.829
where: short stacking energy: -322.497
Base-Backbone interact. energy: 1.128
local terms energy: -328.341757
where:
bonds (distance) C4'-P energy: -63.549
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -68.444
flat angles P-C4'-P energy: -42.960
tors. eta vs tors. theta energy: -94.177
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: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -931.212769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.212769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.212769 (E_RNA)
where:
Base-Base interactions energy: -629.525
where: short stacking energy: -252.877
Base-Backbone interact. energy: -3.568
local terms energy: -298.119927
where:
bonds (distance) C4'-P energy: -72.994
bonds (distance) P-C4' energy: -58.779
flat angles C4'-P-C4' energy: -59.773
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -60.312
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: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1005.184548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.184548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.184548 (E_RNA)
where:
Base-Base interactions energy: -714.024
where: short stacking energy: -296.398
Base-Backbone interact. energy: -1.125
local terms energy: -290.036184
where:
bonds (distance) C4'-P energy: -59.482
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -72.861
flat angles P-C4'-P energy: -40.761
tors. eta vs tors. theta energy: -67.087
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: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -646.394299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.394299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.394299 (E_RNA)
where:
Base-Base interactions energy: -415.212
where: short stacking energy: -191.747
Base-Backbone interact. energy: -1.760
local terms energy: -229.422177
where:
bonds (distance) C4'-P energy: -28.352
bonds (distance) P-C4' energy: -45.491
flat angles C4'-P-C4' energy: -59.047
flat angles P-C4'-P energy: -53.951
tors. eta vs tors. theta energy: -42.581
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: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1483.676600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.676600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.676600 (E_RNA)
where:
Base-Base interactions energy: -1059.521
where: short stacking energy: -441.460
Base-Backbone interact. energy: -0.887
local terms energy: -423.268652
where:
bonds (distance) C4'-P energy: -68.404
bonds (distance) P-C4' energy: -85.513
flat angles C4'-P-C4' energy: -87.399
flat angles P-C4'-P energy: -54.472
tors. eta vs tors. theta energy: -127.479
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: 461
Temperature: 0.950000
Total energy: -1346.811973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.811973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.811973 (E_RNA)
where:
Base-Base interactions energy: -969.376
where: short stacking energy: -407.068
Base-Backbone interact. energy: -2.400
local terms energy: -375.036211
where:
bonds (distance) C4'-P energy: -66.779
bonds (distance) P-C4' energy: -70.158
flat angles C4'-P-C4' energy: -72.248
flat angles P-C4'-P energy: -57.607
tors. eta vs tors. theta energy: -108.245
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: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1302.010971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.010971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.010971 (E_RNA)
where:
Base-Base interactions energy: -912.395
where: short stacking energy: -372.858
Base-Backbone interact. energy: -0.819
local terms energy: -388.797333
where:
bonds (distance) C4'-P energy: -65.602
bonds (distance) P-C4' energy: -79.657
flat angles C4'-P-C4' energy: -79.036
flat angles P-C4'-P energy: -53.926
tors. eta vs tors. theta energy: -110.575
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: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1269.021167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.021167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.021167 (E_RNA)
where:
Base-Base interactions energy: -898.813
where: short stacking energy: -368.352
Base-Backbone interact. energy: -0.741
local terms energy: -369.467014
where:
bonds (distance) C4'-P energy: -72.175
bonds (distance) P-C4' energy: -66.856
flat angles C4'-P-C4' energy: -80.953
flat angles P-C4'-P energy: -53.783
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: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1242.794499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.794499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.794499 (E_RNA)
where:
Base-Base interactions energy: -879.163
where: short stacking energy: -376.359
Base-Backbone interact. energy: 0.353
local terms energy: -363.983872
where:
bonds (distance) C4'-P energy: -61.508
bonds (distance) P-C4' energy: -77.139
flat angles C4'-P-C4' energy: -71.212
flat angles P-C4'-P energy: -49.515
tors. eta vs tors. theta energy: -104.611
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: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1100.829838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.829838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.829838 (E_RNA)
where:
Base-Base interactions energy: -773.798
where: short stacking energy: -332.324
Base-Backbone interact. energy: 2.573
local terms energy: -329.604827
where:
bonds (distance) C4'-P energy: -59.844
bonds (distance) P-C4' energy: -63.741
flat angles C4'-P-C4' energy: -77.137
flat angles P-C4'-P energy: -47.714
tors. eta vs tors. theta energy: -81.169
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: 7, replica: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1143.134908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.134908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.134908 (E_RNA)
where:
Base-Base interactions energy: -817.155
where: short stacking energy: -337.426
Base-Backbone interact. energy: -2.156
local terms energy: -323.824179
where:
bonds (distance) C4'-P energy: -50.394
bonds (distance) P-C4' energy: -65.442
flat angles C4'-P-C4' energy: -73.277
flat angles P-C4'-P energy: -48.013
tors. eta vs tors. theta energy: -86.699
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: 461
Temperature: 1.250000
Total energy: -1035.598534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.598534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.598534 (E_RNA)
where:
Base-Base interactions energy: -732.508
where: short stacking energy: -302.309
Base-Backbone interact. energy: -0.499
local terms energy: -302.591734
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -64.261
flat angles C4'-P-C4' energy: -71.659
flat angles P-C4'-P energy: -29.150
tors. eta vs tors. theta energy: -73.431
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: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -946.550410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.550410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.550410 (E_RNA)
where:
Base-Base interactions energy: -662.351
where: short stacking energy: -273.788
Base-Backbone interact. energy: 0.721
local terms energy: -284.920161
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -58.704
flat angles C4'-P-C4' energy: -68.359
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -60.341
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: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -683.086186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.086186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.086186 (E_RNA)
where:
Base-Base interactions energy: -434.708
where: short stacking energy: -205.910
Base-Backbone interact. energy: 0.522
local terms energy: -248.900118
where:
bonds (distance) C4'-P energy: -55.997
bonds (distance) P-C4' energy: -62.381
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -34.220
tors. eta vs tors. theta energy: -44.923
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: 462
Temperature: 0.900000
Total energy: -1499.858517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.858517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.858517 (E_RNA)
where:
Base-Base interactions energy: -1076.164
where: short stacking energy: -440.827
Base-Backbone interact. energy: -1.468
local terms energy: -422.226258
where:
bonds (distance) C4'-P energy: -69.128
bonds (distance) P-C4' energy: -79.092
flat angles C4'-P-C4' energy: -88.600
flat angles P-C4'-P energy: -59.917
tors. eta vs tors. theta energy: -125.489
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: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1358.335809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.335809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.335809 (E_RNA)
where:
Base-Base interactions energy: -955.666
where: short stacking energy: -392.848
Base-Backbone interact. energy: -0.894
local terms energy: -401.775795
where:
bonds (distance) C4'-P energy: -81.436
bonds (distance) P-C4' energy: -75.017
flat angles C4'-P-C4' energy: -89.672
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -109.224
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: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1317.826717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.826717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.826717 (E_RNA)
where:
Base-Base interactions energy: -931.984
where: short stacking energy: -397.104
Base-Backbone interact. energy: -1.868
local terms energy: -383.974685
where:
bonds (distance) C4'-P energy: -66.355
bonds (distance) P-C4' energy: -70.207
flat angles C4'-P-C4' energy: -79.137
flat angles P-C4'-P energy: -59.521
tors. eta vs tors. theta energy: -108.754
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: 462
Temperature: 1.050000
Total energy: -1276.274084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.274084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.274084 (E_RNA)
where:
Base-Base interactions energy: -913.210
where: short stacking energy: -372.862
Base-Backbone interact. energy: 0.733
local terms energy: -363.796693
where:
bonds (distance) C4'-P energy: -64.834
bonds (distance) P-C4' energy: -67.304
flat angles C4'-P-C4' energy: -75.321
flat angles P-C4'-P energy: -53.669
tors. eta vs tors. theta energy: -102.669
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: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1229.167216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.167216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.167216 (E_RNA)
where:
Base-Base interactions energy: -851.626
where: short stacking energy: -352.939
Base-Backbone interact. energy: -1.996
local terms energy: -375.545227
where:
bonds (distance) C4'-P energy: -68.613
bonds (distance) P-C4' energy: -80.455
flat angles C4'-P-C4' energy: -75.836
flat angles P-C4'-P energy: -48.993
tors. eta vs tors. theta energy: -101.648
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: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1116.014688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.014688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.014688 (E_RNA)
where:
Base-Base interactions energy: -780.066
where: short stacking energy: -330.300
Base-Backbone interact. energy: 1.316
local terms energy: -337.265109
where:
bonds (distance) C4'-P energy: -66.540
bonds (distance) P-C4' energy: -67.602
flat angles C4'-P-C4' energy: -70.489
flat angles P-C4'-P energy: -49.338
tors. eta vs tors. theta energy: -83.296
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: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1094.439964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.439964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.439964 (E_RNA)
where:
Base-Base interactions energy: -768.580
where: short stacking energy: -341.215
Base-Backbone interact. energy: -1.521
local terms energy: -324.339170
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -60.796
flat angles C4'-P-C4' energy: -68.223
flat angles P-C4'-P energy: -46.884
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: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1085.605128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.605128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.605128 (E_RNA)
where:
Base-Base interactions energy: -763.286
where: short stacking energy: -321.858
Base-Backbone interact. energy: -0.765
local terms energy: -321.554142
where:
bonds (distance) C4'-P energy: -56.285
bonds (distance) P-C4' energy: -72.092
flat angles C4'-P-C4' energy: -64.740
flat angles P-C4'-P energy: -39.451
tors. eta vs tors. theta energy: -88.986
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: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -921.530449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.530449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.530449 (E_RNA)
where:
Base-Base interactions energy: -646.518
where: short stacking energy: -247.688
Base-Backbone interact. energy: -0.994
local terms energy: -274.018604
where:
bonds (distance) C4'-P energy: -49.705
bonds (distance) P-C4' energy: -61.205
flat angles C4'-P-C4' energy: -62.791
flat angles P-C4'-P energy: -42.104
tors. eta vs tors. theta energy: -58.214
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: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -580.816270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.816270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.816270 (E_RNA)
where:
Base-Base interactions energy: -349.720
where: short stacking energy: -161.480
Base-Backbone interact. energy: 1.636
local terms energy: -232.732245
where:
bonds (distance) C4'-P energy: -51.919
bonds (distance) P-C4' energy: -60.002
flat angles C4'-P-C4' energy: -67.812
flat angles P-C4'-P energy: -31.148
tors. eta vs tors. theta energy: -21.852
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: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1487.629085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.629085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.629085 (E_RNA)
where:
Base-Base interactions energy: -1067.050
where: short stacking energy: -446.408
Base-Backbone interact. energy: -0.910
local terms energy: -419.668876
where:
bonds (distance) C4'-P energy: -73.090
bonds (distance) P-C4' energy: -79.455
flat angles C4'-P-C4' energy: -87.402
flat angles P-C4'-P energy: -58.334
tors. eta vs tors. theta energy: -121.387
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: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1343.928736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.928736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.928736 (E_RNA)
where:
Base-Base interactions energy: -936.373
where: short stacking energy: -388.499
Base-Backbone interact. energy: -3.528
local terms energy: -404.027143
where:
bonds (distance) C4'-P energy: -72.165
bonds (distance) P-C4' energy: -71.491
flat angles C4'-P-C4' energy: -92.903
flat angles P-C4'-P energy: -52.977
tors. eta vs tors. theta energy: -114.492
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: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1298.412125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.412125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.412125 (E_RNA)
where:
Base-Base interactions energy: -913.039
where: short stacking energy: -380.979
Base-Backbone interact. energy: -1.617
local terms energy: -383.756362
where:
bonds (distance) C4'-P energy: -70.142
bonds (distance) P-C4' energy: -76.236
flat angles C4'-P-C4' energy: -85.584
flat angles P-C4'-P energy: -48.104
tors. eta vs tors. theta energy: -103.689
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: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1290.423000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.423000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.423000 (E_RNA)
where:
Base-Base interactions energy: -921.732
where: short stacking energy: -378.167
Base-Backbone interact. energy: 0.301
local terms energy: -368.991809
where:
bonds (distance) C4'-P energy: -65.365
bonds (distance) P-C4' energy: -70.043
flat angles C4'-P-C4' energy: -79.119
flat angles P-C4'-P energy: -52.581
tors. eta vs tors. theta energy: -101.884
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: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1247.736275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.736275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.736275 (E_RNA)
where:
Base-Base interactions energy: -876.835
where: short stacking energy: -376.074
Base-Backbone interact. energy: -0.530
local terms energy: -370.371000
where:
bonds (distance) C4'-P energy: -73.606
bonds (distance) P-C4' energy: -59.446
flat angles C4'-P-C4' energy: -87.237
flat angles P-C4'-P energy: -50.893
tors. eta vs tors. theta energy: -99.188
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: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1124.924896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.924896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.924896 (E_RNA)
where:
Base-Base interactions energy: -790.041
where: short stacking energy: -331.019
Base-Backbone interact. energy: -0.253
local terms energy: -334.631682
where:
bonds (distance) C4'-P energy: -63.844
bonds (distance) P-C4' energy: -57.239
flat angles C4'-P-C4' energy: -81.798
flat angles P-C4'-P energy: -49.077
tors. eta vs tors. theta energy: -82.673
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: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1087.005121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.005121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.005121 (E_RNA)
where:
Base-Base interactions energy: -764.193
where: short stacking energy: -336.508
Base-Backbone interact. energy: 5.819
local terms energy: -328.631643
where:
bonds (distance) C4'-P energy: -56.445
bonds (distance) P-C4' energy: -63.302
flat angles C4'-P-C4' energy: -75.759
flat angles P-C4'-P energy: -43.286
tors. eta vs tors. theta energy: -89.840
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: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1094.618893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.618893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.618893 (E_RNA)
where:
Base-Base interactions energy: -755.324
where: short stacking energy: -334.123
Base-Backbone interact. energy: -1.498
local terms energy: -337.796412
where:
bonds (distance) C4'-P energy: -67.760
bonds (distance) P-C4' energy: -56.515
flat angles C4'-P-C4' energy: -71.499
flat angles P-C4'-P energy: -50.123
tors. eta vs tors. theta energy: -91.899
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: 463
Temperature: 1.300000
Total energy: -919.151549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.151549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.151549 (E_RNA)
where:
Base-Base interactions energy: -656.537
where: short stacking energy: -270.728
Base-Backbone interact. energy: -0.879
local terms energy: -261.735691
where:
bonds (distance) C4'-P energy: -64.037
bonds (distance) P-C4' energy: -49.047
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -32.095
tors. eta vs tors. theta energy: -60.008
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: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -643.056176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.056176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.056176 (E_RNA)
where:
Base-Base interactions energy: -404.754
where: short stacking energy: -170.304
Base-Backbone interact. energy: 0.169
local terms energy: -238.471261
where:
bonds (distance) C4'-P energy: -70.262
bonds (distance) P-C4' energy: -62.052
flat angles C4'-P-C4' energy: -58.142
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -25.773
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: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1499.274316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.274316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.274316 (E_RNA)
where:
Base-Base interactions energy: -1074.019
where: short stacking energy: -439.991
Base-Backbone interact. energy: -0.188
local terms energy: -425.067567
where:
bonds (distance) C4'-P energy: -74.408
bonds (distance) P-C4' energy: -79.147
flat angles C4'-P-C4' energy: -84.347
flat angles P-C4'-P energy: -61.604
tors. eta vs tors. theta energy: -125.561
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: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1354.138230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.138230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.138230 (E_RNA)
where:
Base-Base interactions energy: -946.111
where: short stacking energy: -396.813
Base-Backbone interact. energy: -0.751
local terms energy: -407.276396
where:
bonds (distance) C4'-P energy: -73.869
bonds (distance) P-C4' energy: -71.389
flat angles C4'-P-C4' energy: -83.796
flat angles P-C4'-P energy: -61.966
tors. eta vs tors. theta energy: -116.256
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: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1310.009801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.009801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.009801 (E_RNA)
where:
Base-Base interactions energy: -924.629
where: short stacking energy: -388.501
Base-Backbone interact. energy: -1.228
local terms energy: -384.152284
where:
bonds (distance) C4'-P energy: -74.519
bonds (distance) P-C4' energy: -72.544
flat angles C4'-P-C4' energy: -74.127
flat angles P-C4'-P energy: -53.461
tors. eta vs tors. theta energy: -109.501
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: 4, replica: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1266.685745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.685745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.685745 (E_RNA)
where:
Base-Base interactions energy: -910.375
where: short stacking energy: -352.150
Base-Backbone interact. energy: 0.926
local terms energy: -357.236730
where:
bonds (distance) C4'-P energy: -64.075
bonds (distance) P-C4' energy: -82.603
flat angles C4'-P-C4' energy: -73.312
flat angles P-C4'-P energy: -45.770
tors. eta vs tors. theta energy: -91.477
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: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1239.360193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.360193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.360193 (E_RNA)
where:
Base-Base interactions energy: -885.320
where: short stacking energy: -368.240
Base-Backbone interact. energy: 0.762
local terms energy: -354.801540
where:
bonds (distance) C4'-P energy: -62.696
bonds (distance) P-C4' energy: -72.213
flat angles C4'-P-C4' energy: -84.777
flat angles P-C4'-P energy: -44.718
tors. eta vs tors. theta energy: -90.397
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: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1116.296268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.296268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.296268 (E_RNA)
where:
Base-Base interactions energy: -779.319
where: short stacking energy: -343.361
Base-Backbone interact. energy: -0.062
local terms energy: -336.915388
where:
bonds (distance) C4'-P energy: -51.654
bonds (distance) P-C4' energy: -57.160
flat angles C4'-P-C4' energy: -80.079
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -102.107
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: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1101.872279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.872279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.872279 (E_RNA)
where:
Base-Base interactions energy: -775.869
where: short stacking energy: -330.076
Base-Backbone interact. energy: -0.026
local terms energy: -325.977281
where:
bonds (distance) C4'-P energy: -65.703
bonds (distance) P-C4' energy: -61.555
flat angles C4'-P-C4' energy: -69.241
flat angles P-C4'-P energy: -43.260
tors. eta vs tors. theta energy: -86.218
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: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1057.185167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.185167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.185167 (E_RNA)
where:
Base-Base interactions energy: -742.853
where: short stacking energy: -314.795
Base-Backbone interact. energy: -0.330
local terms energy: -314.002249
where:
bonds (distance) C4'-P energy: -58.806
bonds (distance) P-C4' energy: -70.384
flat angles C4'-P-C4' energy: -66.870
flat angles P-C4'-P energy: -37.816
tors. eta vs tors. theta energy: -80.126
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: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -884.569578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.569578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.569578 (E_RNA)
where:
Base-Base interactions energy: -605.689
where: short stacking energy: -235.245
Base-Backbone interact. energy: -2.272
local terms energy: -276.608217
where:
bonds (distance) C4'-P energy: -67.838
bonds (distance) P-C4' energy: -59.867
flat angles C4'-P-C4' energy: -53.590
flat angles P-C4'-P energy: -39.145
tors. eta vs tors. theta energy: -56.168
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: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -622.411552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.411552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.411552 (E_RNA)
where:
Base-Base interactions energy: -343.774
where: short stacking energy: -179.461
Base-Backbone interact. energy: -0.401
local terms energy: -278.237204
where:
bonds (distance) C4'-P energy: -72.775
bonds (distance) P-C4' energy: -61.889
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -32.539
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: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1478.389950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.389950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.389950 (E_RNA)
where:
Base-Base interactions energy: -1064.813
where: short stacking energy: -438.471
Base-Backbone interact. energy: -0.624
local terms energy: -412.952799
where:
bonds (distance) C4'-P energy: -77.601
bonds (distance) P-C4' energy: -65.374
flat angles C4'-P-C4' energy: -85.416
flat angles P-C4'-P energy: -65.591
tors. eta vs tors. theta energy: -118.971
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: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1321.233055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.233055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.233055 (E_RNA)
where:
Base-Base interactions energy: -929.357
where: short stacking energy: -405.300
Base-Backbone interact. energy: -0.509
local terms energy: -391.367020
where:
bonds (distance) C4'-P energy: -76.462
bonds (distance) P-C4' energy: -70.884
flat angles C4'-P-C4' energy: -82.017
flat angles P-C4'-P energy: -54.114
tors. eta vs tors. theta energy: -107.890
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: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1317.112252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.112252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.112252 (E_RNA)
where:
Base-Base interactions energy: -929.418
where: short stacking energy: -396.888
Base-Backbone interact. energy: -1.136
local terms energy: -386.558101
where:
bonds (distance) C4'-P energy: -66.915
bonds (distance) P-C4' energy: -73.381
flat angles C4'-P-C4' energy: -71.806
flat angles P-C4'-P energy: -61.237
tors. eta vs tors. theta energy: -113.220
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1269.952944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.952944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.952944 (E_RNA)
where:
Base-Base interactions energy: -900.420
where: short stacking energy: -383.657
Base-Backbone interact. energy: -2.079
local terms energy: -367.453691
where:
bonds (distance) C4'-P energy: -71.643
bonds (distance) P-C4' energy: -65.855
flat angles C4'-P-C4' energy: -82.892
flat angles P-C4'-P energy: -43.744
tors. eta vs tors. theta energy: -103.319
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: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1248.110997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.110997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.110997 (E_RNA)
where:
Base-Base interactions energy: -898.581
where: short stacking energy: -358.622
Base-Backbone interact. energy: 3.937
local terms energy: -353.466770
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -68.074
flat angles C4'-P-C4' energy: -77.147
flat angles P-C4'-P energy: -48.428
tors. eta vs tors. theta energy: -101.914
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: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1142.785825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.785825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.785825 (E_RNA)
where:
Base-Base interactions energy: -821.934
where: short stacking energy: -346.419
Base-Backbone interact. energy: 2.850
local terms energy: -323.701860
where:
bonds (distance) C4'-P energy: -57.636
bonds (distance) P-C4' energy: -58.301
flat angles C4'-P-C4' energy: -73.845
flat angles P-C4'-P energy: -39.836
tors. eta vs tors. theta energy: -94.084
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: 465
Temperature: 1.200000
Total energy: -1080.299289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.299289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.299289 (E_RNA)
where:
Base-Base interactions energy: -749.744
where: short stacking energy: -308.275
Base-Backbone interact. energy: 3.117
local terms energy: -333.672104
where:
bonds (distance) C4'-P energy: -62.677
bonds (distance) P-C4' energy: -62.704
flat angles C4'-P-C4' energy: -74.995
flat angles P-C4'-P energy: -51.833
tors. eta vs tors. theta energy: -81.462
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: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1111.751391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.751391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.751391 (E_RNA)
where:
Base-Base interactions energy: -789.276
where: short stacking energy: -334.096
Base-Backbone interact. energy: 3.012
local terms energy: -325.486832
where:
bonds (distance) C4'-P energy: -68.163
bonds (distance) P-C4' energy: -50.427
flat angles C4'-P-C4' energy: -71.643
flat angles P-C4'-P energy: -41.597
tors. eta vs tors. theta energy: -93.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -851.112564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.112564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.112564 (E_RNA)
where:
Base-Base interactions energy: -605.877
where: short stacking energy: -250.589
Base-Backbone interact. energy: -3.245
local terms energy: -241.990191
where:
bonds (distance) C4'-P energy: -51.171
bonds (distance) P-C4' energy: -48.034
flat angles C4'-P-C4' energy: -60.398
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -50.798
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: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -605.431307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.431307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.431307 (E_RNA)
where:
Base-Base interactions energy: -366.172
where: short stacking energy: -174.741
Base-Backbone interact. energy: 2.157
local terms energy: -241.416545
where:
bonds (distance) C4'-P energy: -47.634
bonds (distance) P-C4' energy: -81.217
flat angles C4'-P-C4' energy: -50.707
flat angles P-C4'-P energy: -35.757
tors. eta vs tors. theta energy: -26.101
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: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1486.848733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.848733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.848733 (E_RNA)
where:
Base-Base interactions energy: -1056.825
where: short stacking energy: -429.284
Base-Backbone interact. energy: -3.429
local terms energy: -426.594528
where:
bonds (distance) C4'-P energy: -76.450
bonds (distance) P-C4' energy: -72.853
flat angles C4'-P-C4' energy: -90.956
flat angles P-C4'-P energy: -65.355
tors. eta vs tors. theta energy: -120.980
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: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1311.296439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.296439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.296439 (E_RNA)
where:
Base-Base interactions energy: -924.967
where: short stacking energy: -395.493
Base-Backbone interact. energy: -2.469
local terms energy: -383.859754
where:
bonds (distance) C4'-P energy: -72.586
bonds (distance) P-C4' energy: -64.890
flat angles C4'-P-C4' energy: -89.555
flat angles P-C4'-P energy: -48.847
tors. eta vs tors. theta energy: -107.982
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: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1323.065880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.065880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.065880 (E_RNA)
where:
Base-Base interactions energy: -942.196
where: short stacking energy: -391.821
Base-Backbone interact. energy: 0.702
local terms energy: -381.571079
where:
bonds (distance) C4'-P energy: -70.825
bonds (distance) P-C4' energy: -73.168
flat angles C4'-P-C4' energy: -82.136
flat angles P-C4'-P energy: -47.543
tors. eta vs tors. theta energy: -107.898
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: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1248.536604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.536604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.536604 (E_RNA)
where:
Base-Base interactions energy: -861.708
where: short stacking energy: -357.101
Base-Backbone interact. energy: -1.779
local terms energy: -385.049148
where:
bonds (distance) C4'-P energy: -67.900
bonds (distance) P-C4' energy: -66.385
flat angles C4'-P-C4' energy: -89.766
flat angles P-C4'-P energy: -56.893
tors. eta vs tors. theta energy: -104.104
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: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1270.768733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.768733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.768733 (E_RNA)
where:
Base-Base interactions energy: -910.356
where: short stacking energy: -361.373
Base-Backbone interact. energy: -2.995
local terms energy: -357.417365
where:
bonds (distance) C4'-P energy: -72.454
bonds (distance) P-C4' energy: -59.160
flat angles C4'-P-C4' energy: -82.199
flat angles P-C4'-P energy: -53.786
tors. eta vs tors. theta energy: -89.819
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: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1200.327811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.327811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.327811 (E_RNA)
where:
Base-Base interactions energy: -845.153
where: short stacking energy: -344.422
Base-Backbone interact. energy: -2.544
local terms energy: -352.630768
where:
bonds (distance) C4'-P energy: -76.385
bonds (distance) P-C4' energy: -58.693
flat angles C4'-P-C4' energy: -83.195
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: -98.917
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: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1084.770188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.770188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.770188 (E_RNA)
where:
Base-Base interactions energy: -755.791
where: short stacking energy: -315.202
Base-Backbone interact. energy: -1.314
local terms energy: -327.665120
where:
bonds (distance) C4'-P energy: -68.287
bonds (distance) P-C4' energy: -65.236
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -55.376
tors. eta vs tors. theta energy: -71.851
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: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1126.356385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.356385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.356385 (E_RNA)
where:
Base-Base interactions energy: -795.218
where: short stacking energy: -333.708
Base-Backbone interact. energy: -0.578
local terms energy: -330.559893
where:
bonds (distance) C4'-P energy: -62.372
bonds (distance) P-C4' energy: -60.607
flat angles C4'-P-C4' energy: -66.835
flat angles P-C4'-P energy: -48.191
tors. eta vs tors. theta energy: -92.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -833.131813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.131813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.131813 (E_RNA)
where:
Base-Base interactions energy: -582.544
where: short stacking energy: -212.983
Base-Backbone interact. energy: -1.440
local terms energy: -249.147400
where:
bonds (distance) C4'-P energy: -66.582
bonds (distance) P-C4' energy: -53.169
flat angles C4'-P-C4' energy: -57.681
flat angles P-C4'-P energy: -36.084
tors. eta vs tors. theta energy: -35.632
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: 10, replica: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -604.159949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.159949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.159949 (E_RNA)
where:
Base-Base interactions energy: -353.484
where: short stacking energy: -153.286
Base-Backbone interact. energy: 0.333
local terms energy: -251.008641
where:
bonds (distance) C4'-P energy: -62.374
bonds (distance) P-C4' energy: -69.634
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -38.860
tors. eta vs tors. theta energy: -26.819
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: 467
Temperature: 0.900000
Total energy: -1472.221483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.221483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.221483 (E_RNA)
where:
Base-Base interactions energy: -1057.146
where: short stacking energy: -424.398
Base-Backbone interact. energy: -0.752
local terms energy: -414.322991
where:
bonds (distance) C4'-P energy: -77.000
bonds (distance) P-C4' energy: -80.252
flat angles C4'-P-C4' energy: -87.727
flat angles P-C4'-P energy: -54.870
tors. eta vs tors. theta energy: -114.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1361.232970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.232970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.232970 (E_RNA)
where:
Base-Base interactions energy: -969.350
where: short stacking energy: -407.489
Base-Backbone interact. energy: -0.073
local terms energy: -391.809635
where:
bonds (distance) C4'-P energy: -70.055
bonds (distance) P-C4' energy: -68.881
flat angles C4'-P-C4' energy: -79.507
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: -120.974
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: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1292.981262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.981262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.981262 (E_RNA)
where:
Base-Base interactions energy: -911.268
where: short stacking energy: -395.422
Base-Backbone interact. energy: -0.827
local terms energy: -380.885926
where:
bonds (distance) C4'-P energy: -60.800
bonds (distance) P-C4' energy: -81.190
flat angles C4'-P-C4' energy: -75.883
flat angles P-C4'-P energy: -60.412
tors. eta vs tors. theta energy: -102.602
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: 467
Temperature: 1.050000
Total energy: -1279.828959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.828959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.828959 (E_RNA)
where:
Base-Base interactions energy: -915.745
where: short stacking energy: -362.737
Base-Backbone interact. energy: -2.003
local terms energy: -362.080370
where:
bonds (distance) C4'-P energy: -72.962
bonds (distance) P-C4' energy: -70.794
flat angles C4'-P-C4' energy: -80.560
flat angles P-C4'-P energy: -49.041
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: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1216.461272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.461272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.461272 (E_RNA)
where:
Base-Base interactions energy: -867.379
where: short stacking energy: -368.738
Base-Backbone interact. energy: 0.370
local terms energy: -349.452237
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -71.213
flat angles C4'-P-C4' energy: -72.051
flat angles P-C4'-P energy: -50.078
tors. eta vs tors. theta energy: -100.149
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: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1222.571935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.571935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.571935 (E_RNA)
where:
Base-Base interactions energy: -870.927
where: short stacking energy: -358.678
Base-Backbone interact. energy: 2.096
local terms energy: -353.741048
where:
bonds (distance) C4'-P energy: -64.226
bonds (distance) P-C4' energy: -72.225
flat angles C4'-P-C4' energy: -85.087
flat angles P-C4'-P energy: -32.889
tors. eta vs tors. theta energy: -99.315
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: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1071.418644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.418644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.418644 (E_RNA)
where:
Base-Base interactions energy: -754.696
where: short stacking energy: -325.988
Base-Backbone interact. energy: -0.627
local terms energy: -316.094908
where:
bonds (distance) C4'-P energy: -63.676
bonds (distance) P-C4' energy: -61.562
flat angles C4'-P-C4' energy: -61.674
flat angles P-C4'-P energy: -49.075
tors. eta vs tors. theta energy: -80.108
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: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1090.794238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.794238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.794238 (E_RNA)
where:
Base-Base interactions energy: -768.175
where: short stacking energy: -331.725
Base-Backbone interact. energy: -0.438
local terms energy: -322.180655
where:
bonds (distance) C4'-P energy: -66.432
bonds (distance) P-C4' energy: -50.839
flat angles C4'-P-C4' energy: -75.214
flat angles P-C4'-P energy: -43.086
tors. eta vs tors. theta energy: -86.609
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: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -849.002195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.002195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.002195 (E_RNA)
where:
Base-Base interactions energy: -573.823
where: short stacking energy: -224.637
Base-Backbone interact. energy: 0.774
local terms energy: -275.953050
where:
bonds (distance) C4'-P energy: -60.844
bonds (distance) P-C4' energy: -69.080
flat angles C4'-P-C4' energy: -62.094
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: -40.786
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: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -591.012508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.012508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.012508 (E_RNA)
where:
Base-Base interactions energy: -365.235
where: short stacking energy: -185.033
Base-Backbone interact. energy: -0.695
local terms energy: -225.082250
where:
bonds (distance) C4'-P energy: -48.140
bonds (distance) P-C4' energy: -56.568
flat angles C4'-P-C4' energy: -60.748
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -27.200
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: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1477.589982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.589982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.589982 (E_RNA)
where:
Base-Base interactions energy: -1055.314
where: short stacking energy: -437.312
Base-Backbone interact. energy: -0.351
local terms energy: -421.924831
where:
bonds (distance) C4'-P energy: -84.728
bonds (distance) P-C4' energy: -69.885
flat angles C4'-P-C4' energy: -86.493
flat angles P-C4'-P energy: -58.612
tors. eta vs tors. theta energy: -122.207
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: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1344.186992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.186992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.186992 (E_RNA)
where:
Base-Base interactions energy: -942.025
where: short stacking energy: -412.751
Base-Backbone interact. energy: -0.996
local terms energy: -401.165983
where:
bonds (distance) C4'-P energy: -75.511
bonds (distance) P-C4' energy: -71.299
flat angles C4'-P-C4' energy: -85.852
flat angles P-C4'-P energy: -52.564
tors. eta vs tors. theta energy: -115.941
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: 468
Temperature: 1.000000
Total energy: -1312.315168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.315168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.315168 (E_RNA)
where:
Base-Base interactions energy: -933.813
where: short stacking energy: -389.300
Base-Backbone interact. energy: 0.645
local terms energy: -379.147325
where:
bonds (distance) C4'-P energy: -65.891
bonds (distance) P-C4' energy: -83.263
flat angles C4'-P-C4' energy: -71.936
flat angles P-C4'-P energy: -53.898
tors. eta vs tors. theta energy: -104.159
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: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1238.373265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.373265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.373265 (E_RNA)
where:
Base-Base interactions energy: -867.316
where: short stacking energy: -360.108
Base-Backbone interact. energy: 0.461
local terms energy: -371.518398
where:
bonds (distance) C4'-P energy: -72.489
bonds (distance) P-C4' energy: -68.647
flat angles C4'-P-C4' energy: -76.776
flat angles P-C4'-P energy: -50.042
tors. eta vs tors. theta energy: -103.565
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: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1239.026907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.026907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.026907 (E_RNA)
where:
Base-Base interactions energy: -862.738
where: short stacking energy: -347.932
Base-Backbone interact. energy: -1.653
local terms energy: -374.636416
where:
bonds (distance) C4'-P energy: -75.171
bonds (distance) P-C4' energy: -72.755
flat angles C4'-P-C4' energy: -73.908
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -101.791
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: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1182.815769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.815769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.815769 (E_RNA)
where:
Base-Base interactions energy: -850.539
where: short stacking energy: -339.752
Base-Backbone interact. energy: -1.662
local terms energy: -330.615289
where:
bonds (distance) C4'-P energy: -66.556
bonds (distance) P-C4' energy: -49.610
flat angles C4'-P-C4' energy: -67.278
flat angles P-C4'-P energy: -51.491
tors. eta vs tors. theta energy: -95.681
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: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1105.033726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.033726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.033726 (E_RNA)
where:
Base-Base interactions energy: -780.561
where: short stacking energy: -334.005
Base-Backbone interact. energy: -0.372
local terms energy: -324.099841
where:
bonds (distance) C4'-P energy: -54.929
bonds (distance) P-C4' energy: -68.796
flat angles C4'-P-C4' energy: -69.468
flat angles P-C4'-P energy: -50.959
tors. eta vs tors. theta energy: -79.948
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: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1057.621473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.621473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.621473 (E_RNA)
where:
Base-Base interactions energy: -743.911
where: short stacking energy: -311.429
Base-Backbone interact. energy: 2.899
local terms energy: -316.609449
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -63.112
flat angles C4'-P-C4' energy: -74.816
flat angles P-C4'-P energy: -48.706
tors. eta vs tors. theta energy: -75.156
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: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -865.450232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.450232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.450232 (E_RNA)
where:
Base-Base interactions energy: -581.953
where: short stacking energy: -239.763
Base-Backbone interact. energy: 1.992
local terms energy: -285.489256
where:
bonds (distance) C4'-P energy: -58.292
bonds (distance) P-C4' energy: -67.812
flat angles C4'-P-C4' energy: -72.151
flat angles P-C4'-P energy: -32.813
tors. eta vs tors. theta energy: -54.421
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: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -549.732992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.732992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.732992 (E_RNA)
where:
Base-Base interactions energy: -307.877
where: short stacking energy: -150.703
Base-Backbone interact. energy: -2.014
local terms energy: -239.841570
where:
bonds (distance) C4'-P energy: -44.975
bonds (distance) P-C4' energy: -78.878
flat angles C4'-P-C4' energy: -53.389
flat angles P-C4'-P energy: -44.347
tors. eta vs tors. theta energy: -18.252
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: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1462.163342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.163342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.163342 (E_RNA)
where:
Base-Base interactions energy: -1042.495
where: short stacking energy: -435.493
Base-Backbone interact. energy: 0.946
local terms energy: -420.614157
where:
bonds (distance) C4'-P energy: -77.258
bonds (distance) P-C4' energy: -79.575
flat angles C4'-P-C4' energy: -84.568
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: -122.943
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: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1341.198991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.198991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.198991 (E_RNA)
where:
Base-Base interactions energy: -923.115
where: short stacking energy: -390.498
Base-Backbone interact. energy: -1.121
local terms energy: -416.962283
where:
bonds (distance) C4'-P energy: -80.954
bonds (distance) P-C4' energy: -81.388
flat angles C4'-P-C4' energy: -84.016
flat angles P-C4'-P energy: -56.653
tors. eta vs tors. theta energy: -113.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1293.620223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.620223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.620223 (E_RNA)
where:
Base-Base interactions energy: -945.910
where: short stacking energy: -375.607
Base-Backbone interact. energy: -2.334
local terms energy: -345.376357
where:
bonds (distance) C4'-P energy: -60.994
bonds (distance) P-C4' energy: -58.324
flat angles C4'-P-C4' energy: -76.268
flat angles P-C4'-P energy: -48.157
tors. eta vs tors. theta energy: -101.633
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: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1258.165569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.165569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.165569 (E_RNA)
where:
Base-Base interactions energy: -893.094
where: short stacking energy: -363.988
Base-Backbone interact. energy: -2.027
local terms energy: -363.044814
where:
bonds (distance) C4'-P energy: -65.444
bonds (distance) P-C4' energy: -73.691
flat angles C4'-P-C4' energy: -72.890
flat angles P-C4'-P energy: -46.289
tors. eta vs tors. theta energy: -104.731
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: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1217.849479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.849479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.849479 (E_RNA)
where:
Base-Base interactions energy: -854.233
where: short stacking energy: -363.912
Base-Backbone interact. energy: -0.979
local terms energy: -362.638106
where:
bonds (distance) C4'-P energy: -77.252
bonds (distance) P-C4' energy: -67.983
flat angles C4'-P-C4' energy: -74.811
flat angles P-C4'-P energy: -44.041
tors. eta vs tors. theta energy: -98.552
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: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1167.814851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.814851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.814851 (E_RNA)
where:
Base-Base interactions energy: -827.862
where: short stacking energy: -327.062
Base-Backbone interact. energy: -1.786
local terms energy: -338.166557
where:
bonds (distance) C4'-P energy: -63.554
bonds (distance) P-C4' energy: -63.866
flat angles C4'-P-C4' energy: -75.600
flat angles P-C4'-P energy: -49.059
tors. eta vs tors. theta energy: -86.087
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: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1088.947074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.947074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.947074 (E_RNA)
where:
Base-Base interactions energy: -776.917
where: short stacking energy: -325.891
Base-Backbone interact. energy: 4.150
local terms energy: -316.179877
where:
bonds (distance) C4'-P energy: -63.789
bonds (distance) P-C4' energy: -62.932
flat angles C4'-P-C4' energy: -70.478
flat angles P-C4'-P energy: -40.312
tors. eta vs tors. theta energy: -78.669
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: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1083.284161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.284161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.284161 (E_RNA)
where:
Base-Base interactions energy: -759.482
where: short stacking energy: -314.945
Base-Backbone interact. energy: -0.509
local terms energy: -323.293091
where:
bonds (distance) C4'-P energy: -60.359
bonds (distance) P-C4' energy: -67.528
flat angles C4'-P-C4' energy: -60.630
flat angles P-C4'-P energy: -47.458
tors. eta vs tors. theta energy: -87.318
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: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -841.079415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.079415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.079415 (E_RNA)
where:
Base-Base interactions energy: -576.525
where: short stacking energy: -247.577
Base-Backbone interact. energy: 2.891
local terms energy: -267.445535
where:
bonds (distance) C4'-P energy: -72.499
bonds (distance) P-C4' energy: -54.957
flat angles C4'-P-C4' energy: -63.906
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: -49.986
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: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -573.519799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.519799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.519799 (E_RNA)
where:
Base-Base interactions energy: -344.730
where: short stacking energy: -161.363
Base-Backbone interact. energy: -0.946
local terms energy: -227.843927
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -69.532
flat angles C4'-P-C4' energy: -56.456
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -14.844
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: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1456.496890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.496890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.496890 (E_RNA)
where:
Base-Base interactions energy: -1031.425
where: short stacking energy: -420.786
Base-Backbone interact. energy: -0.540
local terms energy: -424.531336
where:
bonds (distance) C4'-P energy: -74.472
bonds (distance) P-C4' energy: -79.833
flat angles C4'-P-C4' energy: -90.955
flat angles P-C4'-P energy: -61.447
tors. eta vs tors. theta energy: -117.825
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: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1364.549535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.549535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.549535 (E_RNA)
where:
Base-Base interactions energy: -955.562
where: short stacking energy: -409.546
Base-Backbone interact. energy: -1.182
local terms energy: -407.805490
where:
bonds (distance) C4'-P energy: -78.153
bonds (distance) P-C4' energy: -70.912
flat angles C4'-P-C4' energy: -80.784
flat angles P-C4'-P energy: -61.347
tors. eta vs tors. theta energy: -116.610
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: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1298.505781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.505781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.505781 (E_RNA)
where:
Base-Base interactions energy: -920.361
where: short stacking energy: -357.524
Base-Backbone interact. energy: -0.707
local terms energy: -377.437592
where:
bonds (distance) C4'-P energy: -68.793
bonds (distance) P-C4' energy: -73.788
flat angles C4'-P-C4' energy: -82.146
flat angles P-C4'-P energy: -54.762
tors. eta vs tors. theta energy: -97.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1277.607183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.607183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.607183 (E_RNA)
where:
Base-Base interactions energy: -890.899
where: short stacking energy: -386.331
Base-Backbone interact. energy: -0.919
local terms energy: -385.789115
where:
bonds (distance) C4'-P energy: -70.121
bonds (distance) P-C4' energy: -69.061
flat angles C4'-P-C4' energy: -86.145
flat angles P-C4'-P energy: -50.652
tors. eta vs tors. theta energy: -109.810
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: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1205.448523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.448523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.448523 (E_RNA)
where:
Base-Base interactions energy: -853.467
where: short stacking energy: -343.388
Base-Backbone interact. energy: 0.256
local terms energy: -352.238087
where:
bonds (distance) C4'-P energy: -66.972
bonds (distance) P-C4' energy: -58.543
flat angles C4'-P-C4' energy: -81.186
flat angles P-C4'-P energy: -53.582
tors. eta vs tors. theta energy: -91.955
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: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1196.110319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.110319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.110319 (E_RNA)
where:
Base-Base interactions energy: -842.055
where: short stacking energy: -345.048
Base-Backbone interact. energy: 1.887
local terms energy: -355.943073
where:
bonds (distance) C4'-P energy: -62.953
bonds (distance) P-C4' energy: -67.564
flat angles C4'-P-C4' energy: -83.350
flat angles P-C4'-P energy: -39.701
tors. eta vs tors. theta energy: -102.375
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: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1023.276572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.276572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.276572 (E_RNA)
where:
Base-Base interactions energy: -706.935
where: short stacking energy: -307.079
Base-Backbone interact. energy: -0.709
local terms energy: -315.632389
where:
bonds (distance) C4'-P energy: -50.640
bonds (distance) P-C4' energy: -63.194
flat angles C4'-P-C4' energy: -66.910
flat angles P-C4'-P energy: -51.302
tors. eta vs tors. theta energy: -83.587
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: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1043.997876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.997876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.997876 (E_RNA)
where:
Base-Base interactions energy: -734.775
where: short stacking energy: -314.213
Base-Backbone interact. energy: -0.227
local terms energy: -308.995876
where:
bonds (distance) C4'-P energy: -54.042
bonds (distance) P-C4' energy: -46.726
flat angles C4'-P-C4' energy: -80.828
flat angles P-C4'-P energy: -44.148
tors. eta vs tors. theta energy: -83.253
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: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -857.674407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.674407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.674407 (E_RNA)
where:
Base-Base interactions energy: -575.002
where: short stacking energy: -237.611
Base-Backbone interact. energy: 0.981
local terms energy: -283.653049
where:
bonds (distance) C4'-P energy: -49.661
bonds (distance) P-C4' energy: -71.157
flat angles C4'-P-C4' energy: -70.040
flat angles P-C4'-P energy: -42.242
tors. eta vs tors. theta energy: -50.553
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: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -606.562679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.562679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.562679 (E_RNA)
where:
Base-Base interactions energy: -366.437
where: short stacking energy: -170.428
Base-Backbone interact. energy: 3.124
local terms energy: -243.249360
where:
bonds (distance) C4'-P energy: -67.190
bonds (distance) P-C4' energy: -61.399
flat angles C4'-P-C4' energy: -61.618
flat angles P-C4'-P energy: -38.259
tors. eta vs tors. theta energy: -14.784
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: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1483.578920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.578920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.578920 (E_RNA)
where:
Base-Base interactions energy: -1047.224
where: short stacking energy: -432.268
Base-Backbone interact. energy: 0.534
local terms energy: -436.889033
where:
bonds (distance) C4'-P energy: -78.179
bonds (distance) P-C4' energy: -80.866
flat angles C4'-P-C4' energy: -92.871
flat angles P-C4'-P energy: -62.466
tors. eta vs tors. theta energy: -122.508
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: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1354.848590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.848590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.848590 (E_RNA)
where:
Base-Base interactions energy: -940.997
where: short stacking energy: -406.853
Base-Backbone interact. energy: -1.313
local terms energy: -412.538126
where:
bonds (distance) C4'-P energy: -80.650
bonds (distance) P-C4' energy: -73.161
flat angles C4'-P-C4' energy: -88.077
flat angles P-C4'-P energy: -56.063
tors. eta vs tors. theta energy: -114.587
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: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1302.883742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.883742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.883742 (E_RNA)
where:
Base-Base interactions energy: -928.068
where: short stacking energy: -376.924
Base-Backbone interact. energy: -1.050
local terms energy: -373.766282
where:
bonds (distance) C4'-P energy: -66.162
bonds (distance) P-C4' energy: -74.297
flat angles C4'-P-C4' energy: -79.997
flat angles P-C4'-P energy: -53.787
tors. eta vs tors. theta energy: -99.523
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: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1280.320819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.320819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.320819 (E_RNA)
where:
Base-Base interactions energy: -895.691
where: short stacking energy: -384.367
Base-Backbone interact. energy: -0.971
local terms energy: -383.658635
where:
bonds (distance) C4'-P energy: -71.665
bonds (distance) P-C4' energy: -75.110
flat angles C4'-P-C4' energy: -78.610
flat angles P-C4'-P energy: -53.665
tors. eta vs tors. theta energy: -104.609
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: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1241.294026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.294026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.294026 (E_RNA)
where:
Base-Base interactions energy: -868.109
where: short stacking energy: -356.587
Base-Backbone interact. energy: 0.027
local terms energy: -373.212071
where:
bonds (distance) C4'-P energy: -72.492
bonds (distance) P-C4' energy: -69.783
flat angles C4'-P-C4' energy: -88.179
flat angles P-C4'-P energy: -52.645
tors. eta vs tors. theta energy: -90.113
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: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1227.736982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.736982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.736982 (E_RNA)
where:
Base-Base interactions energy: -853.372
where: short stacking energy: -362.131
Base-Backbone interact. energy: -0.565
local terms energy: -373.800153
where:
bonds (distance) C4'-P energy: -66.916
bonds (distance) P-C4' energy: -71.289
flat angles C4'-P-C4' energy: -73.664
flat angles P-C4'-P energy: -54.175
tors. eta vs tors. theta energy: -107.756
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: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1075.026206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.026206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.026206 (E_RNA)
where:
Base-Base interactions energy: -734.820
where: short stacking energy: -322.672
Base-Backbone interact. energy: -1.955
local terms energy: -338.251873
where:
bonds (distance) C4'-P energy: -68.764
bonds (distance) P-C4' energy: -66.257
flat angles C4'-P-C4' energy: -73.123
flat angles P-C4'-P energy: -44.999
tors. eta vs tors. theta energy: -85.108
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: 471
Temperature: 1.250000
Total energy: -1038.274167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.274167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.274167 (E_RNA)
where:
Base-Base interactions energy: -720.867
where: short stacking energy: -306.775
Base-Backbone interact. energy: -0.934
local terms energy: -316.473516
where:
bonds (distance) C4'-P energy: -53.241
bonds (distance) P-C4' energy: -64.708
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -53.862
tors. eta vs tors. theta energy: -83.100
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: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -873.768065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.768065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.768065 (E_RNA)
where:
Base-Base interactions energy: -602.739
where: short stacking energy: -257.096
Base-Backbone interact. energy: 0.435
local terms energy: -271.463961
where:
bonds (distance) C4'-P energy: -45.847
bonds (distance) P-C4' energy: -71.988
flat angles C4'-P-C4' energy: -68.119
flat angles P-C4'-P energy: -41.200
tors. eta vs tors. theta energy: -44.310
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: 471
Temperature: 1.350000
Total energy: -579.077116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.077116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.077116 (E_RNA)
where:
Base-Base interactions energy: -348.857
where: short stacking energy: -158.804
Base-Backbone interact. energy: -0.739
local terms energy: -229.480882
where:
bonds (distance) C4'-P energy: -74.274
bonds (distance) P-C4' energy: -53.338
flat angles C4'-P-C4' energy: -55.552
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: -15.852
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: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1467.477971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.477971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.477971 (E_RNA)
where:
Base-Base interactions energy: -1039.401
where: short stacking energy: -423.311
Base-Backbone interact. energy: -0.171
local terms energy: -427.906783
where:
bonds (distance) C4'-P energy: -86.655
bonds (distance) P-C4' energy: -72.991
flat angles C4'-P-C4' energy: -85.737
flat angles P-C4'-P energy: -61.390
tors. eta vs tors. theta energy: -121.133
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: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1361.203328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.203328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.203328 (E_RNA)
where:
Base-Base interactions energy: -956.132
where: short stacking energy: -409.861
Base-Backbone interact. energy: -1.164
local terms energy: -403.907266
where:
bonds (distance) C4'-P energy: -72.517
bonds (distance) P-C4' energy: -81.867
flat angles C4'-P-C4' energy: -82.191
flat angles P-C4'-P energy: -57.124
tors. eta vs tors. theta energy: -110.208
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: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1289.162069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.162069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.162069 (E_RNA)
where:
Base-Base interactions energy: -917.784
where: short stacking energy: -374.016
Base-Backbone interact. energy: 0.707
local terms energy: -372.085829
where:
bonds (distance) C4'-P energy: -78.630
bonds (distance) P-C4' energy: -70.775
flat angles C4'-P-C4' energy: -74.218
flat angles P-C4'-P energy: -50.918
tors. eta vs tors. theta energy: -97.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1277.208202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.208202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.208202 (E_RNA)
where:
Base-Base interactions energy: -896.106
where: short stacking energy: -385.776
Base-Backbone interact. energy: -1.011
local terms energy: -380.090810
where:
bonds (distance) C4'-P energy: -65.094
bonds (distance) P-C4' energy: -69.736
flat angles C4'-P-C4' energy: -81.006
flat angles P-C4'-P energy: -55.168
tors. eta vs tors. theta energy: -109.087
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: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1231.242095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.242095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.242095 (E_RNA)
where:
Base-Base interactions energy: -861.485
where: short stacking energy: -344.515
Base-Backbone interact. energy: -1.691
local terms energy: -368.066290
where:
bonds (distance) C4'-P energy: -72.548
bonds (distance) P-C4' energy: -68.671
flat angles C4'-P-C4' energy: -74.691
flat angles P-C4'-P energy: -60.128
tors. eta vs tors. theta energy: -92.029
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: 472
Temperature: 1.150000
Total energy: -1168.272192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.272192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.272192 (E_RNA)
where:
Base-Base interactions energy: -821.793
where: short stacking energy: -342.252
Base-Backbone interact. energy: -0.074
local terms energy: -346.404329
where:
bonds (distance) C4'-P energy: -65.721
bonds (distance) P-C4' energy: -72.655
flat angles C4'-P-C4' energy: -72.809
flat angles P-C4'-P energy: -37.758
tors. eta vs tors. theta energy: -97.461
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: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1104.856800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.856800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.856800 (E_RNA)
where:
Base-Base interactions energy: -783.010
where: short stacking energy: -327.260
Base-Backbone interact. energy: -1.360
local terms energy: -320.486485
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -70.632
flat angles C4'-P-C4' energy: -64.550
flat angles P-C4'-P energy: -46.202
tors. eta vs tors. theta energy: -87.491
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: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1048.499249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.499249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.499249 (E_RNA)
where:
Base-Base interactions energy: -715.998
where: short stacking energy: -303.920
Base-Backbone interact. energy: -1.043
local terms energy: -331.458384
where:
bonds (distance) C4'-P energy: -64.898
bonds (distance) P-C4' energy: -61.841
flat angles C4'-P-C4' energy: -79.074
flat angles P-C4'-P energy: -47.602
tors. eta vs tors. theta energy: -78.042
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: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -863.954685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.954685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.954685 (E_RNA)
where:
Base-Base interactions energy: -565.418
where: short stacking energy: -250.817
Base-Backbone interact. energy: 0.108
local terms energy: -298.644640
where:
bonds (distance) C4'-P energy: -63.650
bonds (distance) P-C4' energy: -66.021
flat angles C4'-P-C4' energy: -69.416
flat angles P-C4'-P energy: -46.711
tors. eta vs tors. theta energy: -52.847
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: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -606.768580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.768580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.768580 (E_RNA)
where:
Base-Base interactions energy: -382.029
where: short stacking energy: -202.268
Base-Backbone interact. energy: 5.304
local terms energy: -230.043867
where:
bonds (distance) C4'-P energy: -60.181
bonds (distance) P-C4' energy: -54.108
flat angles C4'-P-C4' energy: -43.491
flat angles P-C4'-P energy: -36.241
tors. eta vs tors. theta energy: -36.022
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: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1464.817856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.817856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.817856 (E_RNA)
where:
Base-Base interactions energy: -1033.261
where: short stacking energy: -424.678
Base-Backbone interact. energy: -0.136
local terms energy: -431.420771
where:
bonds (distance) C4'-P energy: -76.364
bonds (distance) P-C4' energy: -78.639
flat angles C4'-P-C4' energy: -90.858
flat angles P-C4'-P energy: -64.823
tors. eta vs tors. theta energy: -120.737
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: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1333.300396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.300396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.300396 (E_RNA)
where:
Base-Base interactions energy: -945.212
where: short stacking energy: -389.778
Base-Backbone interact. energy: 2.945
local terms energy: -391.032930
where:
bonds (distance) C4'-P energy: -80.395
bonds (distance) P-C4' energy: -75.205
flat angles C4'-P-C4' energy: -74.745
flat angles P-C4'-P energy: -51.544
tors. eta vs tors. theta energy: -109.144
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: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1329.372111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.372111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.372111 (E_RNA)
where:
Base-Base interactions energy: -932.190
where: short stacking energy: -406.949
Base-Backbone interact. energy: -0.782
local terms energy: -396.400032
where:
bonds (distance) C4'-P energy: -77.061
bonds (distance) P-C4' energy: -65.786
flat angles C4'-P-C4' energy: -79.409
flat angles P-C4'-P energy: -62.235
tors. eta vs tors. theta energy: -111.908
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: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1263.506480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.506480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.506480 (E_RNA)
where:
Base-Base interactions energy: -886.890
where: short stacking energy: -378.701
Base-Backbone interact. energy: -0.973
local terms energy: -375.643790
where:
bonds (distance) C4'-P energy: -64.061
bonds (distance) P-C4' energy: -75.179
flat angles C4'-P-C4' energy: -75.808
flat angles P-C4'-P energy: -55.450
tors. eta vs tors. theta energy: -105.146
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: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1217.315762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.315762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.315762 (E_RNA)
where:
Base-Base interactions energy: -860.755
where: short stacking energy: -348.174
Base-Backbone interact. energy: -2.092
local terms energy: -354.469031
where:
bonds (distance) C4'-P energy: -70.828
bonds (distance) P-C4' energy: -63.021
flat angles C4'-P-C4' energy: -75.829
flat angles P-C4'-P energy: -47.917
tors. eta vs tors. theta energy: -96.874
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: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1140.037590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.037590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.037590 (E_RNA)
where:
Base-Base interactions energy: -818.290
where: short stacking energy: -339.112
Base-Backbone interact. energy: -0.720
local terms energy: -321.027763
where:
bonds (distance) C4'-P energy: -64.099
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -62.732
flat angles P-C4'-P energy: -46.339
tors. eta vs tors. theta energy: -92.484
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: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1118.764234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.764234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.764234 (E_RNA)
where:
Base-Base interactions energy: -792.264
where: short stacking energy: -310.911
Base-Backbone interact. energy: 4.132
local terms energy: -330.632051
where:
bonds (distance) C4'-P energy: -67.598
bonds (distance) P-C4' energy: -63.959
flat angles C4'-P-C4' energy: -72.959
flat angles P-C4'-P energy: -42.655
tors. eta vs tors. theta energy: -83.461
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: 5
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1068.420261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.420261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.420261 (E_RNA)
where:
Base-Base interactions energy: -749.858
where: short stacking energy: -309.365
Base-Backbone interact. energy: -1.460
local terms energy: -317.102143
where:
bonds (distance) C4'-P energy: -55.421
bonds (distance) P-C4' energy: -74.479
flat angles C4'-P-C4' energy: -70.137
flat angles P-C4'-P energy: -38.866
tors. eta vs tors. theta energy: -78.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -850.920147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.920147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.920147 (E_RNA)
where:
Base-Base interactions energy: -573.056
where: short stacking energy: -231.294
Base-Backbone interact. energy: -1.896
local terms energy: -275.967920
where:
bonds (distance) C4'-P energy: -60.690
bonds (distance) P-C4' energy: -66.844
flat angles C4'-P-C4' energy: -64.653
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -51.675
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: 10, replica: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -615.468633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.468633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.468633 (E_RNA)
where:
Base-Base interactions energy: -403.915
where: short stacking energy: -181.716
Base-Backbone interact. energy: 3.426
local terms energy: -214.979244
where:
bonds (distance) C4'-P energy: -48.659
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -57.103
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -19.471
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: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1482.851896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.851896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.851896 (E_RNA)
where:
Base-Base interactions energy: -1059.680
where: short stacking energy: -440.542
Base-Backbone interact. energy: 0.071
local terms energy: -423.243087
where:
bonds (distance) C4'-P energy: -73.442
bonds (distance) P-C4' energy: -76.641
flat angles C4'-P-C4' energy: -92.669
flat angles P-C4'-P energy: -58.677
tors. eta vs tors. theta energy: -121.814
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: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1349.825098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.825098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.825098 (E_RNA)
where:
Base-Base interactions energy: -975.017
where: short stacking energy: -402.985
Base-Backbone interact. energy: -1.956
local terms energy: -372.852317
where:
bonds (distance) C4'-P energy: -65.039
bonds (distance) P-C4' energy: -72.035
flat angles C4'-P-C4' energy: -85.398
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -105.722
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: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1274.585907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.585907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.585907 (E_RNA)
where:
Base-Base interactions energy: -875.817
where: short stacking energy: -376.397
Base-Backbone interact. energy: -0.036
local terms energy: -398.732813
where:
bonds (distance) C4'-P energy: -71.930
bonds (distance) P-C4' energy: -72.116
flat angles C4'-P-C4' energy: -89.232
flat angles P-C4'-P energy: -58.353
tors. eta vs tors. theta energy: -107.101
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: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1275.798737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.798737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.798737 (E_RNA)
where:
Base-Base interactions energy: -883.897
where: short stacking energy: -375.500
Base-Backbone interact. energy: -0.477
local terms energy: -391.424515
where:
bonds (distance) C4'-P energy: -72.471
bonds (distance) P-C4' energy: -77.492
flat angles C4'-P-C4' energy: -83.781
flat angles P-C4'-P energy: -56.112
tors. eta vs tors. theta energy: -101.569
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: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1206.403485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.403485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.403485 (E_RNA)
where:
Base-Base interactions energy: -842.190
where: short stacking energy: -377.659
Base-Backbone interact. energy: -1.780
local terms energy: -362.433200
where:
bonds (distance) C4'-P energy: -60.950
bonds (distance) P-C4' energy: -75.351
flat angles C4'-P-C4' energy: -81.843
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -97.814
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: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1170.293039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.293039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.293039 (E_RNA)
where:
Base-Base interactions energy: -840.565
where: short stacking energy: -329.971
Base-Backbone interact. energy: -0.501
local terms energy: -329.227011
where:
bonds (distance) C4'-P energy: -64.683
bonds (distance) P-C4' energy: -60.004
flat angles C4'-P-C4' energy: -72.005
flat angles P-C4'-P energy: -46.258
tors. eta vs tors. theta energy: -86.277
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: 474
Temperature: 1.200000
Total energy: -1140.165710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.165710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.165710 (E_RNA)
where:
Base-Base interactions energy: -820.237
where: short stacking energy: -331.279
Base-Backbone interact. energy: -1.732
local terms energy: -318.196717
where:
bonds (distance) C4'-P energy: -50.942
bonds (distance) P-C4' energy: -63.375
flat angles C4'-P-C4' energy: -68.079
flat angles P-C4'-P energy: -51.026
tors. eta vs tors. theta energy: -84.776
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: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1081.950834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.950834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.950834 (E_RNA)
where:
Base-Base interactions energy: -758.838
where: short stacking energy: -319.144
Base-Backbone interact. energy: 0.234
local terms energy: -323.346377
where:
bonds (distance) C4'-P energy: -62.215
bonds (distance) P-C4' energy: -68.050
flat angles C4'-P-C4' energy: -75.756
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: -85.750
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: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -833.251517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.251517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.251517 (E_RNA)
where:
Base-Base interactions energy: -556.265
where: short stacking energy: -247.088
Base-Backbone interact. energy: 0.773
local terms energy: -277.759792
where:
bonds (distance) C4'-P energy: -62.471
bonds (distance) P-C4' energy: -58.175
flat angles C4'-P-C4' energy: -66.438
flat angles P-C4'-P energy: -30.777
tors. eta vs tors. theta energy: -59.899
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: 10, replica: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -622.815867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.815867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.815867 (E_RNA)
where:
Base-Base interactions energy: -396.028
where: short stacking energy: -168.301
Base-Backbone interact. energy: -0.651
local terms energy: -226.137059
where:
bonds (distance) C4'-P energy: -56.694
bonds (distance) P-C4' energy: -67.616
flat angles C4'-P-C4' energy: -57.993
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1481.540432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.540432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.540432 (E_RNA)
where:
Base-Base interactions energy: -1076.907
where: short stacking energy: -444.219
Base-Backbone interact. energy: 0.214
local terms energy: -404.846914
where:
bonds (distance) C4'-P energy: -76.276
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -83.162
flat angles P-C4'-P energy: -59.684
tors. eta vs tors. theta energy: -117.564
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: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1321.383435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.383435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.383435 (E_RNA)
where:
Base-Base interactions energy: -927.897
where: short stacking energy: -392.961
Base-Backbone interact. energy: -0.997
local terms energy: -392.489356
where:
bonds (distance) C4'-P energy: -75.052
bonds (distance) P-C4' energy: -72.105
flat angles C4'-P-C4' energy: -83.459
flat angles P-C4'-P energy: -48.079
tors. eta vs tors. theta energy: -113.794
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: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1311.882841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.882841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.882841 (E_RNA)
where:
Base-Base interactions energy: -939.304
where: short stacking energy: -366.770
Base-Backbone interact. energy: -1.747
local terms energy: -370.832383
where:
bonds (distance) C4'-P energy: -61.756
bonds (distance) P-C4' energy: -74.463
flat angles C4'-P-C4' energy: -77.891
flat angles P-C4'-P energy: -57.487
tors. eta vs tors. theta energy: -99.236
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: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1292.403260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.403260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.403260 (E_RNA)
where:
Base-Base interactions energy: -919.505
where: short stacking energy: -384.496
Base-Backbone interact. energy: -0.824
local terms energy: -372.075117
where:
bonds (distance) C4'-P energy: -57.774
bonds (distance) P-C4' energy: -66.292
flat angles C4'-P-C4' energy: -83.181
flat angles P-C4'-P energy: -56.601
tors. eta vs tors. theta energy: -108.227
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: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1201.614841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.614841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.614841 (E_RNA)
where:
Base-Base interactions energy: -841.136
where: short stacking energy: -356.341
Base-Backbone interact. energy: -1.167
local terms energy: -359.311506
where:
bonds (distance) C4'-P energy: -65.949
bonds (distance) P-C4' energy: -72.829
flat angles C4'-P-C4' energy: -73.812
flat angles P-C4'-P energy: -49.981
tors. eta vs tors. theta energy: -96.741
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: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1181.126808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.126808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.126808 (E_RNA)
where:
Base-Base interactions energy: -831.855
where: short stacking energy: -338.090
Base-Backbone interact. energy: -1.431
local terms energy: -347.840842
where:
bonds (distance) C4'-P energy: -67.568
bonds (distance) P-C4' energy: -68.377
flat angles C4'-P-C4' energy: -79.077
flat angles P-C4'-P energy: -42.894
tors. eta vs tors. theta energy: -89.925
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: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1120.463307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.463307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.463307 (E_RNA)
where:
Base-Base interactions energy: -780.666
where: short stacking energy: -337.198
Base-Backbone interact. energy: -0.760
local terms energy: -339.037493
where:
bonds (distance) C4'-P energy: -66.200
bonds (distance) P-C4' energy: -62.784
flat angles C4'-P-C4' energy: -77.724
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -98.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1080.128765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.128765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.128765 (E_RNA)
where:
Base-Base interactions energy: -782.028
where: short stacking energy: -324.175
Base-Backbone interact. energy: 2.166
local terms energy: -300.266802
where:
bonds (distance) C4'-P energy: -55.611
bonds (distance) P-C4' energy: -62.785
flat angles C4'-P-C4' energy: -64.209
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -75.840
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: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -851.891132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.891132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.891132 (E_RNA)
where:
Base-Base interactions energy: -585.128
where: short stacking energy: -233.657
Base-Backbone interact. energy: 1.661
local terms energy: -268.424108
where:
bonds (distance) C4'-P energy: -59.253
bonds (distance) P-C4' energy: -68.117
flat angles C4'-P-C4' energy: -60.844
flat angles P-C4'-P energy: -39.102
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: 10, replica: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -623.667469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.667469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.667469 (E_RNA)
where:
Base-Base interactions energy: -416.557
where: short stacking energy: -165.964
Base-Backbone interact. energy: 9.620
local terms energy: -216.730877
where:
bonds (distance) C4'-P energy: -52.432
bonds (distance) P-C4' energy: -46.952
flat angles C4'-P-C4' energy: -62.542
flat angles P-C4'-P energy: -41.522
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1485.283551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.283551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.283551 (E_RNA)
where:
Base-Base interactions energy: -1060.213
where: short stacking energy: -435.356
Base-Backbone interact. energy: -0.569
local terms energy: -424.501927
where:
bonds (distance) C4'-P energy: -71.095
bonds (distance) P-C4' energy: -78.503
flat angles C4'-P-C4' energy: -92.412
flat angles P-C4'-P energy: -58.020
tors. eta vs tors. theta energy: -124.472
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: 2, replica: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1321.983912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.983912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.983912 (E_RNA)
where:
Base-Base interactions energy: -928.041
where: short stacking energy: -396.590
Base-Backbone interact. energy: -0.462
local terms energy: -393.481063
where:
bonds (distance) C4'-P energy: -69.856
bonds (distance) P-C4' energy: -72.699
flat angles C4'-P-C4' energy: -86.656
flat angles P-C4'-P energy: -54.273
tors. eta vs tors. theta energy: -109.996
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: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1330.841439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.841439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.841439 (E_RNA)
where:
Base-Base interactions energy: -926.355
where: short stacking energy: -395.323
Base-Backbone interact. energy: 0.344
local terms energy: -404.830649
where:
bonds (distance) C4'-P energy: -74.444
bonds (distance) P-C4' energy: -78.032
flat angles C4'-P-C4' energy: -80.855
flat angles P-C4'-P energy: -58.296
tors. eta vs tors. theta energy: -113.203
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: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1310.881160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.881160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.881160 (E_RNA)
where:
Base-Base interactions energy: -957.576
where: short stacking energy: -398.646
Base-Backbone interact. energy: -2.115
local terms energy: -351.190029
where:
bonds (distance) C4'-P energy: -56.916
bonds (distance) P-C4' energy: -64.832
flat angles C4'-P-C4' energy: -74.810
flat angles P-C4'-P energy: -51.320
tors. eta vs tors. theta energy: -103.312
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: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1223.871003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.871003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.871003 (E_RNA)
where:
Base-Base interactions energy: -865.041
where: short stacking energy: -379.349
Base-Backbone interact. energy: -1.086
local terms energy: -357.744492
where:
bonds (distance) C4'-P energy: -58.380
bonds (distance) P-C4' energy: -73.565
flat angles C4'-P-C4' energy: -73.181
flat angles P-C4'-P energy: -46.889
tors. eta vs tors. theta energy: -105.730
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: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1149.326420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.326420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.326420 (E_RNA)
where:
Base-Base interactions energy: -783.262
where: short stacking energy: -323.555
Base-Backbone interact. energy: -2.020
local terms energy: -364.044390
where:
bonds (distance) C4'-P energy: -67.971
bonds (distance) P-C4' energy: -63.235
flat angles C4'-P-C4' energy: -78.940
flat angles P-C4'-P energy: -53.220
tors. eta vs tors. theta energy: -100.678
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: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1119.484925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.484925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.484925 (E_RNA)
where:
Base-Base interactions energy: -786.037
where: short stacking energy: -329.786
Base-Backbone interact. energy: -2.585
local terms energy: -330.862464
where:
bonds (distance) C4'-P energy: -52.848
bonds (distance) P-C4' energy: -64.064
flat angles C4'-P-C4' energy: -71.795
flat angles P-C4'-P energy: -55.312
tors. eta vs tors. theta energy: -86.844
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: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1082.294336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.294336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.294336 (E_RNA)
where:
Base-Base interactions energy: -774.558
where: short stacking energy: -331.367
Base-Backbone interact. energy: 1.307
local terms energy: -309.043416
where:
bonds (distance) C4'-P energy: -63.283
bonds (distance) P-C4' energy: -55.185
flat angles C4'-P-C4' energy: -68.723
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -82.049
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: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -811.967738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.967738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.967738 (E_RNA)
where:
Base-Base interactions energy: -533.271
where: short stacking energy: -231.471
Base-Backbone interact. energy: 0.106
local terms energy: -278.802519
where:
bonds (distance) C4'-P energy: -66.045
bonds (distance) P-C4' energy: -59.339
flat angles C4'-P-C4' energy: -65.897
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -49.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -636.589921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.589921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.589921 (E_RNA)
where:
Base-Base interactions energy: -373.991
where: short stacking energy: -156.861
Base-Backbone interact. energy: -1.473
local terms energy: -261.126381
where:
bonds (distance) C4'-P energy: -65.960
bonds (distance) P-C4' energy: -70.249
flat angles C4'-P-C4' energy: -49.717
flat angles P-C4'-P energy: -44.424
tors. eta vs tors. theta energy: -30.776
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: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1485.623514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.623514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.623514 (E_RNA)
where:
Base-Base interactions energy: -1057.000
where: short stacking energy: -447.093
Base-Backbone interact. energy: -0.852
local terms energy: -427.771474
where:
bonds (distance) C4'-P energy: -69.729
bonds (distance) P-C4' energy: -73.176
flat angles C4'-P-C4' energy: -95.659
flat angles P-C4'-P energy: -58.440
tors. eta vs tors. theta energy: -130.768
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: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1368.688842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.688842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.688842 (E_RNA)
where:
Base-Base interactions energy: -955.243
where: short stacking energy: -421.473
Base-Backbone interact. energy: -0.701
local terms energy: -412.745328
where:
bonds (distance) C4'-P energy: -71.614
bonds (distance) P-C4' energy: -73.905
flat angles C4'-P-C4' energy: -89.576
flat angles P-C4'-P energy: -55.322
tors. eta vs tors. theta energy: -122.329
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: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1289.985862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.985862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.985862 (E_RNA)
where:
Base-Base interactions energy: -895.912
where: short stacking energy: -374.085
Base-Backbone interact. energy: -1.800
local terms energy: -392.273261
where:
bonds (distance) C4'-P energy: -72.793
bonds (distance) P-C4' energy: -76.655
flat angles C4'-P-C4' energy: -81.930
flat angles P-C4'-P energy: -51.638
tors. eta vs tors. theta energy: -109.257
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: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1276.771600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.771600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.771600 (E_RNA)
where:
Base-Base interactions energy: -913.237
where: short stacking energy: -372.590
Base-Backbone interact. energy: -1.516
local terms energy: -362.019048
where:
bonds (distance) C4'-P energy: -72.164
bonds (distance) P-C4' energy: -75.085
flat angles C4'-P-C4' energy: -68.869
flat angles P-C4'-P energy: -53.309
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: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1241.210934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.210934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.210934 (E_RNA)
where:
Base-Base interactions energy: -858.108
where: short stacking energy: -367.362
Base-Backbone interact. energy: -1.133
local terms energy: -381.969959
where:
bonds (distance) C4'-P energy: -73.712
bonds (distance) P-C4' energy: -80.716
flat angles C4'-P-C4' energy: -76.282
flat angles P-C4'-P energy: -50.372
tors. eta vs tors. theta energy: -100.888
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: 6, replica: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1161.912033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.912033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.912033 (E_RNA)
where:
Base-Base interactions energy: -817.754
where: short stacking energy: -329.282
Base-Backbone interact. energy: -0.952
local terms energy: -343.206126
where:
bonds (distance) C4'-P energy: -60.690
bonds (distance) P-C4' energy: -67.665
flat angles C4'-P-C4' energy: -78.265
flat angles P-C4'-P energy: -53.588
tors. eta vs tors. theta energy: -82.998
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: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1130.616854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.616854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.616854 (E_RNA)
where:
Base-Base interactions energy: -789.274
where: short stacking energy: -329.899
Base-Backbone interact. energy: -0.637
local terms energy: -340.705772
where:
bonds (distance) C4'-P energy: -64.619
bonds (distance) P-C4' energy: -78.027
flat angles C4'-P-C4' energy: -70.027
flat angles P-C4'-P energy: -40.171
tors. eta vs tors. theta energy: -87.862
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: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1074.671736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.671736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.671736 (E_RNA)
where:
Base-Base interactions energy: -760.771
where: short stacking energy: -330.208
Base-Backbone interact. energy: 0.198
local terms energy: -314.098137
where:
bonds (distance) C4'-P energy: -66.320
bonds (distance) P-C4' energy: -46.962
flat angles C4'-P-C4' energy: -67.054
flat angles P-C4'-P energy: -48.549
tors. eta vs tors. theta energy: -85.212
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: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -809.647979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.647979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.647979 (E_RNA)
where:
Base-Base interactions energy: -542.317
where: short stacking energy: -221.855
Base-Backbone interact. energy: 2.727
local terms energy: -270.057773
where:
bonds (distance) C4'-P energy: -73.826
bonds (distance) P-C4' energy: -61.833
flat angles C4'-P-C4' energy: -58.991
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: -39.078
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: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -605.042995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.042995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.042995 (E_RNA)
where:
Base-Base interactions energy: -366.427
where: short stacking energy: -180.310
Base-Backbone interact. energy: -1.883
local terms energy: -236.732377
where:
bonds (distance) C4'-P energy: -57.967
bonds (distance) P-C4' energy: -56.195
flat angles C4'-P-C4' energy: -64.281
flat angles P-C4'-P energy: -40.207
tors. eta vs tors. theta energy: -18.082
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: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1470.470554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.470554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.470554 (E_RNA)
where:
Base-Base interactions energy: -1069.832
where: short stacking energy: -451.236
Base-Backbone interact. energy: -0.309
local terms energy: -400.328704
where:
bonds (distance) C4'-P energy: -66.081
bonds (distance) P-C4' energy: -67.021
flat angles C4'-P-C4' energy: -90.631
flat angles P-C4'-P energy: -56.283
tors. eta vs tors. theta energy: -120.314
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: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1352.315405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.315405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.315405 (E_RNA)
where:
Base-Base interactions energy: -942.738
where: short stacking energy: -413.106
Base-Backbone interact. energy: -1.818
local terms energy: -407.759251
where:
bonds (distance) C4'-P energy: -75.322
bonds (distance) P-C4' energy: -70.606
flat angles C4'-P-C4' energy: -85.715
flat angles P-C4'-P energy: -57.149
tors. eta vs tors. theta energy: -118.968
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: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1292.812282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.812282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.812282 (E_RNA)
where:
Base-Base interactions energy: -925.036
where: short stacking energy: -369.782
Base-Backbone interact. energy: -0.880
local terms energy: -366.895876
where:
bonds (distance) C4'-P energy: -67.671
bonds (distance) P-C4' energy: -68.840
flat angles C4'-P-C4' energy: -83.313
flat angles P-C4'-P energy: -49.988
tors. eta vs tors. theta energy: -97.084
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: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1263.436116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.436116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.436116 (E_RNA)
where:
Base-Base interactions energy: -886.445
where: short stacking energy: -371.465
Base-Backbone interact. energy: 1.321
local terms energy: -378.312046
where:
bonds (distance) C4'-P energy: -67.344
bonds (distance) P-C4' energy: -72.367
flat angles C4'-P-C4' energy: -84.707
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: -104.276
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: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1193.303255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.303255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.303255 (E_RNA)
where:
Base-Base interactions energy: -833.921
where: short stacking energy: -354.409
Base-Backbone interact. energy: -0.836
local terms energy: -358.546686
where:
bonds (distance) C4'-P energy: -64.673
bonds (distance) P-C4' energy: -79.874
flat angles C4'-P-C4' energy: -68.154
flat angles P-C4'-P energy: -47.562
tors. eta vs tors. theta energy: -98.284
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: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1208.610323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.610323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.610323 (E_RNA)
where:
Base-Base interactions energy: -855.406
where: short stacking energy: -343.175
Base-Backbone interact. energy: 3.607
local terms energy: -356.811638
where:
bonds (distance) C4'-P energy: -65.539
bonds (distance) P-C4' energy: -64.566
flat angles C4'-P-C4' energy: -85.736
flat angles P-C4'-P energy: -47.396
tors. eta vs tors. theta energy: -93.575
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: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1125.469325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.469325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.469325 (E_RNA)
where:
Base-Base interactions energy: -809.591
where: short stacking energy: -335.198
Base-Backbone interact. energy: -1.024
local terms energy: -314.854036
where:
bonds (distance) C4'-P energy: -53.867
bonds (distance) P-C4' energy: -59.775
flat angles C4'-P-C4' energy: -62.843
flat angles P-C4'-P energy: -48.620
tors. eta vs tors. theta energy: -89.749
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: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1040.772833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.772833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.772833 (E_RNA)
where:
Base-Base interactions energy: -724.048
where: short stacking energy: -298.910
Base-Backbone interact. energy: 2.783
local terms energy: -319.507533
where:
bonds (distance) C4'-P energy: -61.111
bonds (distance) P-C4' energy: -65.795
flat angles C4'-P-C4' energy: -69.301
flat angles P-C4'-P energy: -47.347
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: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -779.832636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.832636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.832636 (E_RNA)
where:
Base-Base interactions energy: -520.812
where: short stacking energy: -219.936
Base-Backbone interact. energy: -5.570
local terms energy: -253.451379
where:
bonds (distance) C4'-P energy: -64.378
bonds (distance) P-C4' energy: -54.601
flat angles C4'-P-C4' energy: -63.023
flat angles P-C4'-P energy: -38.098
tors. eta vs tors. theta energy: -33.351
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: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -604.362146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.362146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.362146 (E_RNA)
where:
Base-Base interactions energy: -391.866
where: short stacking energy: -189.783
Base-Backbone interact. energy: 8.252
local terms energy: -220.748294
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -61.552
flat angles C4'-P-C4' energy: -43.723
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: -19.663
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: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1475.956566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.956566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.956566 (E_RNA)
where:
Base-Base interactions energy: -1046.430
where: short stacking energy: -430.704
Base-Backbone interact. energy: -1.598
local terms energy: -427.927907
where:
bonds (distance) C4'-P energy: -86.075
bonds (distance) P-C4' energy: -78.539
flat angles C4'-P-C4' energy: -81.221
flat angles P-C4'-P energy: -61.748
tors. eta vs tors. theta energy: -120.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1349.758704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.758704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.758704 (E_RNA)
where:
Base-Base interactions energy: -943.785
where: short stacking energy: -399.101
Base-Backbone interact. energy: -1.394
local terms energy: -404.579679
where:
bonds (distance) C4'-P energy: -76.801
bonds (distance) P-C4' energy: -73.539
flat angles C4'-P-C4' energy: -87.923
flat angles P-C4'-P energy: -55.209
tors. eta vs tors. theta energy: -111.108
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: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1323.567477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.567477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.567477 (E_RNA)
where:
Base-Base interactions energy: -938.463
where: short stacking energy: -382.423
Base-Backbone interact. energy: -0.075
local terms energy: -385.029360
where:
bonds (distance) C4'-P energy: -66.684
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -89.490
flat angles P-C4'-P energy: -51.455
tors. eta vs tors. theta energy: -102.261
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: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1272.787693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.787693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.787693 (E_RNA)
where:
Base-Base interactions energy: -892.189
where: short stacking energy: -380.251
Base-Backbone interact. energy: -0.143
local terms energy: -380.455390
where:
bonds (distance) C4'-P energy: -63.157
bonds (distance) P-C4' energy: -76.526
flat angles C4'-P-C4' energy: -82.616
flat angles P-C4'-P energy: -56.678
tors. eta vs tors. theta energy: -101.478
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: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1199.185618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.185618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.185618 (E_RNA)
where:
Base-Base interactions energy: -838.709
where: short stacking energy: -351.764
Base-Backbone interact. energy: 0.327
local terms energy: -360.803873
where:
bonds (distance) C4'-P energy: -62.267
bonds (distance) P-C4' energy: -71.081
flat angles C4'-P-C4' energy: -80.324
flat angles P-C4'-P energy: -56.966
tors. eta vs tors. theta energy: -90.166
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: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1211.777142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.777142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.777142 (E_RNA)
where:
Base-Base interactions energy: -857.659
where: short stacking energy: -330.996
Base-Backbone interact. energy: -1.199
local terms energy: -352.918943
where:
bonds (distance) C4'-P energy: -74.076
bonds (distance) P-C4' energy: -76.609
flat angles C4'-P-C4' energy: -74.340
flat angles P-C4'-P energy: -39.011
tors. eta vs tors. theta energy: -88.883
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: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1086.996713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.996713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.996713 (E_RNA)
where:
Base-Base interactions energy: -765.083
where: short stacking energy: -330.700
Base-Backbone interact. energy: -0.994
local terms energy: -320.919682
where:
bonds (distance) C4'-P energy: -51.621
bonds (distance) P-C4' energy: -77.010
flat angles C4'-P-C4' energy: -66.615
flat angles P-C4'-P energy: -37.967
tors. eta vs tors. theta energy: -87.706
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: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1059.759751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.759751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.759751 (E_RNA)
where:
Base-Base interactions energy: -762.546
where: short stacking energy: -313.452
Base-Backbone interact. energy: -0.973
local terms energy: -296.240428
where:
bonds (distance) C4'-P energy: -54.904
bonds (distance) P-C4' energy: -61.101
flat angles C4'-P-C4' energy: -68.355
flat angles P-C4'-P energy: -37.825
tors. eta vs tors. theta energy: -74.056
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: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -774.433324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.433324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.433324 (E_RNA)
where:
Base-Base interactions energy: -509.981
where: short stacking energy: -213.549
Base-Backbone interact. energy: 1.198
local terms energy: -265.650562
where:
bonds (distance) C4'-P energy: -55.381
bonds (distance) P-C4' energy: -67.113
flat angles C4'-P-C4' energy: -65.285
flat angles P-C4'-P energy: -39.517
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: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -621.066640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.066640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.066640 (E_RNA)
where:
Base-Base interactions energy: -398.231
where: short stacking energy: -176.297
Base-Backbone interact. energy: -1.139
local terms energy: -221.696938
where:
bonds (distance) C4'-P energy: -55.798
bonds (distance) P-C4' energy: -58.429
flat angles C4'-P-C4' energy: -45.176
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: -19.782
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: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1483.951151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.951151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.951151 (E_RNA)
where:
Base-Base interactions energy: -1058.163
where: short stacking energy: -434.260
Base-Backbone interact. energy: -2.210
local terms energy: -423.578332
where:
bonds (distance) C4'-P energy: -84.335
bonds (distance) P-C4' energy: -81.622
flat angles C4'-P-C4' energy: -87.274
flat angles P-C4'-P energy: -50.343
tors. eta vs tors. theta energy: -120.004
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: 2, replica: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1359.801470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.801470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.801470 (E_RNA)
where:
Base-Base interactions energy: -948.559
where: short stacking energy: -404.127
Base-Backbone interact. energy: -0.496
local terms energy: -410.746282
where:
bonds (distance) C4'-P energy: -72.466
bonds (distance) P-C4' energy: -80.797
flat angles C4'-P-C4' energy: -86.931
flat angles P-C4'-P energy: -53.563
tors. eta vs tors. theta energy: -116.989
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: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1315.006895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.006895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.006895 (E_RNA)
where:
Base-Base interactions energy: -935.796
where: short stacking energy: -398.282
Base-Backbone interact. energy: -1.372
local terms energy: -377.838966
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -67.537
flat angles C4'-P-C4' energy: -76.314
flat angles P-C4'-P energy: -47.323
tors. eta vs tors. theta energy: -115.122
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: 4, replica: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1297.880054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.880054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.880054 (E_RNA)
where:
Base-Base interactions energy: -925.686
where: short stacking energy: -371.442
Base-Backbone interact. energy: -1.034
local terms energy: -371.160004
where:
bonds (distance) C4'-P energy: -65.287
bonds (distance) P-C4' energy: -75.064
flat angles C4'-P-C4' energy: -82.614
flat angles P-C4'-P energy: -48.700
tors. eta vs tors. theta energy: -99.495
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: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1215.510011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.510011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.510011 (E_RNA)
where:
Base-Base interactions energy: -833.655
where: short stacking energy: -343.739
Base-Backbone interact. energy: 2.069
local terms energy: -383.923962
where:
bonds (distance) C4'-P energy: -73.384
bonds (distance) P-C4' energy: -75.106
flat angles C4'-P-C4' energy: -85.571
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -102.081
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: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1158.515527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.515527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.515527 (E_RNA)
where:
Base-Base interactions energy: -822.873
where: short stacking energy: -336.757
Base-Backbone interact. energy: -0.616
local terms energy: -335.026492
where:
bonds (distance) C4'-P energy: -55.827
bonds (distance) P-C4' energy: -69.755
flat angles C4'-P-C4' energy: -68.975
flat angles P-C4'-P energy: -52.738
tors. eta vs tors. theta energy: -87.731
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: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1139.985907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.985907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.985907 (E_RNA)
where:
Base-Base interactions energy: -809.345
where: short stacking energy: -332.065
Base-Backbone interact. energy: -1.663
local terms energy: -328.977696
where:
bonds (distance) C4'-P energy: -59.310
bonds (distance) P-C4' energy: -63.180
flat angles C4'-P-C4' energy: -72.436
flat angles P-C4'-P energy: -41.057
tors. eta vs tors. theta energy: -92.995
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: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1062.435272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.435272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.435272 (E_RNA)
where:
Base-Base interactions energy: -760.948
where: short stacking energy: -317.302
Base-Backbone interact. energy: -0.239
local terms energy: -301.247947
where:
bonds (distance) C4'-P energy: -58.656
bonds (distance) P-C4' energy: -51.221
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -89.160
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: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -878.672245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.672245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.672245 (E_RNA)
where:
Base-Base interactions energy: -598.858
where: short stacking energy: -236.686
Base-Backbone interact. energy: -3.774
local terms energy: -276.039869
where:
bonds (distance) C4'-P energy: -63.804
bonds (distance) P-C4' energy: -62.767
flat angles C4'-P-C4' energy: -60.542
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -52.177
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: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -648.728132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.728132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.728132 (E_RNA)
where:
Base-Base interactions energy: -392.626
where: short stacking energy: -179.458
Base-Backbone interact. energy: -1.205
local terms energy: -254.897409
where:
bonds (distance) C4'-P energy: -55.585
bonds (distance) P-C4' energy: -69.571
flat angles C4'-P-C4' energy: -60.691
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -26.968
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: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1497.494667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.494667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.494667 (E_RNA)
where:
Base-Base interactions energy: -1089.054
where: short stacking energy: -457.869
Base-Backbone interact. energy: -0.666
local terms energy: -407.774884
where:
bonds (distance) C4'-P energy: -72.483
bonds (distance) P-C4' energy: -62.260
flat angles C4'-P-C4' energy: -89.629
flat angles P-C4'-P energy: -60.079
tors. eta vs tors. theta energy: -123.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1366.092681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.092681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.092681 (E_RNA)
where:
Base-Base interactions energy: -961.508
where: short stacking energy: -415.310
Base-Backbone interact. energy: -1.752
local terms energy: -402.832732
where:
bonds (distance) C4'-P energy: -69.136
bonds (distance) P-C4' energy: -72.459
flat angles C4'-P-C4' energy: -87.098
flat angles P-C4'-P energy: -54.155
tors. eta vs tors. theta energy: -119.985
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: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1313.944737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.944737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.944737 (E_RNA)
where:
Base-Base interactions energy: -921.363
where: short stacking energy: -390.703
Base-Backbone interact. energy: -1.323
local terms energy: -391.258322
where:
bonds (distance) C4'-P energy: -68.584
bonds (distance) P-C4' energy: -69.245
flat angles C4'-P-C4' energy: -84.727
flat angles P-C4'-P energy: -58.128
tors. eta vs tors. theta energy: -110.575
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: 4, replica: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1277.567266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.567266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.567266 (E_RNA)
where:
Base-Base interactions energy: -902.820
where: short stacking energy: -372.922
Base-Backbone interact. energy: 0.367
local terms energy: -375.113540
where:
bonds (distance) C4'-P energy: -72.213
bonds (distance) P-C4' energy: -72.531
flat angles C4'-P-C4' energy: -79.270
flat angles P-C4'-P energy: -53.431
tors. eta vs tors. theta energy: -97.668
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: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1215.487517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.487517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.487517 (E_RNA)
where:
Base-Base interactions energy: -862.781
where: short stacking energy: -355.013
Base-Backbone interact. energy: -2.401
local terms energy: -350.305438
where:
bonds (distance) C4'-P energy: -54.778
bonds (distance) P-C4' energy: -72.498
flat angles C4'-P-C4' energy: -74.838
flat angles P-C4'-P energy: -55.754
tors. eta vs tors. theta energy: -92.437
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: 481
Temperature: 1.150000
Total energy: -1159.615499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.615499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.615499 (E_RNA)
where:
Base-Base interactions energy: -832.447
where: short stacking energy: -345.019
Base-Backbone interact. energy: 1.591
local terms energy: -328.759685
where:
bonds (distance) C4'-P energy: -56.226
bonds (distance) P-C4' energy: -69.951
flat angles C4'-P-C4' energy: -61.645
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -90.654
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: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1115.509989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.509989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.509989 (E_RNA)
where:
Base-Base interactions energy: -803.725
where: short stacking energy: -329.153
Base-Backbone interact. energy: 0.578
local terms energy: -312.363124
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -73.501
flat angles P-C4'-P energy: -54.105
tors. eta vs tors. theta energy: -87.005
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: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1085.454123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.454123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.454123 (E_RNA)
where:
Base-Base interactions energy: -754.472
where: short stacking energy: -323.838
Base-Backbone interact. energy: -1.755
local terms energy: -329.227286
where:
bonds (distance) C4'-P energy: -53.082
bonds (distance) P-C4' energy: -69.617
flat angles C4'-P-C4' energy: -67.726
flat angles P-C4'-P energy: -48.495
tors. eta vs tors. theta energy: -90.308
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: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -863.697087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.697087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.697087 (E_RNA)
where:
Base-Base interactions energy: -605.770
where: short stacking energy: -233.233
Base-Backbone interact. energy: -0.245
local terms energy: -257.682413
where:
bonds (distance) C4'-P energy: -49.507
bonds (distance) P-C4' energy: -67.174
flat angles C4'-P-C4' energy: -57.897
flat angles P-C4'-P energy: -37.479
tors. eta vs tors. theta energy: -45.625
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: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -580.111541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.111541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.111541 (E_RNA)
where:
Base-Base interactions energy: -361.410
where: short stacking energy: -185.275
Base-Backbone interact. energy: -0.777
local terms energy: -217.924806
where:
bonds (distance) C4'-P energy: -50.743
bonds (distance) P-C4' energy: -49.644
flat angles C4'-P-C4' energy: -60.635
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -30.005
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: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1474.288007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.288007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.288007 (E_RNA)
where:
Base-Base interactions energy: -1055.137
where: short stacking energy: -427.281
Base-Backbone interact. energy: -0.214
local terms energy: -418.937393
where:
bonds (distance) C4'-P energy: -67.579
bonds (distance) P-C4' energy: -82.323
flat angles C4'-P-C4' energy: -87.506
flat angles P-C4'-P energy: -58.731
tors. eta vs tors. theta energy: -122.798
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: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1348.022030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.022030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.022030 (E_RNA)
where:
Base-Base interactions energy: -947.908
where: short stacking energy: -410.579
Base-Backbone interact. energy: -0.954
local terms energy: -399.160603
where:
bonds (distance) C4'-P energy: -69.161
bonds (distance) P-C4' energy: -72.438
flat angles C4'-P-C4' energy: -85.716
flat angles P-C4'-P energy: -53.372
tors. eta vs tors. theta energy: -118.474
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: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1329.639477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.639477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.639477 (E_RNA)
where:
Base-Base interactions energy: -937.784
where: short stacking energy: -378.768
Base-Backbone interact. energy: -0.367
local terms energy: -391.488317
where:
bonds (distance) C4'-P energy: -72.583
bonds (distance) P-C4' energy: -78.133
flat angles C4'-P-C4' energy: -80.494
flat angles P-C4'-P energy: -58.786
tors. eta vs tors. theta energy: -101.493
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: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1283.660825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.660825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.660825 (E_RNA)
where:
Base-Base interactions energy: -901.213
where: short stacking energy: -387.000
Base-Backbone interact. energy: -1.242
local terms energy: -381.206360
where:
bonds (distance) C4'-P energy: -63.733
bonds (distance) P-C4' energy: -76.762
flat angles C4'-P-C4' energy: -78.635
flat angles P-C4'-P energy: -52.606
tors. eta vs tors. theta energy: -109.471
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: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1197.144894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.144894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.144894 (E_RNA)
where:
Base-Base interactions energy: -864.717
where: short stacking energy: -353.147
Base-Backbone interact. energy: -1.470
local terms energy: -330.958099
where:
bonds (distance) C4'-P energy: -62.674
bonds (distance) P-C4' energy: -69.018
flat angles C4'-P-C4' energy: -62.905
flat angles P-C4'-P energy: -39.690
tors. eta vs tors. theta energy: -96.670
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: 482
Temperature: 1.150000
Total energy: -1141.384079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.384079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.384079 (E_RNA)
where:
Base-Base interactions energy: -813.185
where: short stacking energy: -344.829
Base-Backbone interact. energy: -0.505
local terms energy: -327.694175
where:
bonds (distance) C4'-P energy: -63.237
bonds (distance) P-C4' energy: -52.118
flat angles C4'-P-C4' energy: -76.959
flat angles P-C4'-P energy: -42.566
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: 7, replica: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1127.223508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.223508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.223508 (E_RNA)
where:
Base-Base interactions energy: -789.699
where: short stacking energy: -325.233
Base-Backbone interact. energy: 0.026
local terms energy: -337.549730
where:
bonds (distance) C4'-P energy: -79.598
bonds (distance) P-C4' energy: -65.789
flat angles C4'-P-C4' energy: -62.735
flat angles P-C4'-P energy: -40.558
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: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1047.739159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.739159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.739159 (E_RNA)
where:
Base-Base interactions energy: -725.098
where: short stacking energy: -320.904
Base-Backbone interact. energy: -2.561
local terms energy: -320.080467
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -56.338
flat angles C4'-P-C4' energy: -78.070
flat angles P-C4'-P energy: -46.517
tors. eta vs tors. theta energy: -87.342
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: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -866.566628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.566628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.566628 (E_RNA)
where:
Base-Base interactions energy: -599.744
where: short stacking energy: -245.156
Base-Backbone interact. energy: -0.358
local terms energy: -266.463988
where:
bonds (distance) C4'-P energy: -58.668
bonds (distance) P-C4' energy: -59.393
flat angles C4'-P-C4' energy: -56.563
flat angles P-C4'-P energy: -32.249
tors. eta vs tors. theta energy: -59.591
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: 482
Temperature: 1.350000
Total energy: -602.466509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.466509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.466509 (E_RNA)
where:
Base-Base interactions energy: -381.244
where: short stacking energy: -171.568
Base-Backbone interact. energy: 0.119
local terms energy: -221.340618
where:
bonds (distance) C4'-P energy: -62.520
bonds (distance) P-C4' energy: -62.103
flat angles C4'-P-C4' energy: -49.630
flat angles P-C4'-P energy: -28.103
tors. eta vs tors. theta energy: -18.985
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: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1474.605015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.605015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.605015 (E_RNA)
where:
Base-Base interactions energy: -1054.094
where: short stacking energy: -446.126
Base-Backbone interact. energy: -1.283
local terms energy: -419.228682
where:
bonds (distance) C4'-P energy: -68.797
bonds (distance) P-C4' energy: -71.457
flat angles C4'-P-C4' energy: -95.954
flat angles P-C4'-P energy: -62.477
tors. eta vs tors. theta energy: -120.544
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: 483
Temperature: 0.950000
Total energy: -1361.388993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.388993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.388993 (E_RNA)
where:
Base-Base interactions energy: -969.707
where: short stacking energy: -419.314
Base-Backbone interact. energy: -1.168
local terms energy: -390.514493
where:
bonds (distance) C4'-P energy: -69.850
bonds (distance) P-C4' energy: -75.922
flat angles C4'-P-C4' energy: -84.019
flat angles P-C4'-P energy: -42.407
tors. eta vs tors. theta energy: -118.316
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: 483
Temperature: 1.000000
Total energy: -1321.126844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.126844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.126844 (E_RNA)
where:
Base-Base interactions energy: -946.586
where: short stacking energy: -392.203
Base-Backbone interact. energy: -0.884
local terms energy: -373.657042
where:
bonds (distance) C4'-P energy: -77.019
bonds (distance) P-C4' energy: -73.633
flat angles C4'-P-C4' energy: -77.970
flat angles P-C4'-P energy: -44.528
tors. eta vs tors. theta energy: -100.506
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: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1290.141597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.141597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.141597 (E_RNA)
where:
Base-Base interactions energy: -899.398
where: short stacking energy: -389.131
Base-Backbone interact. energy: 1.771
local terms energy: -392.514555
where:
bonds (distance) C4'-P energy: -66.681
bonds (distance) P-C4' energy: -73.543
flat angles C4'-P-C4' energy: -79.525
flat angles P-C4'-P energy: -57.979
tors. eta vs tors. theta energy: -114.787
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: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1237.382801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.382801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.382801 (E_RNA)
where:
Base-Base interactions energy: -845.746
where: short stacking energy: -353.360
Base-Backbone interact. energy: -0.483
local terms energy: -391.153747
where:
bonds (distance) C4'-P energy: -69.436
bonds (distance) P-C4' energy: -74.378
flat angles C4'-P-C4' energy: -85.706
flat angles P-C4'-P energy: -55.685
tors. eta vs tors. theta energy: -105.950
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: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1135.787485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.787485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.787485 (E_RNA)
where:
Base-Base interactions energy: -807.361
where: short stacking energy: -340.968
Base-Backbone interact. energy: -1.278
local terms energy: -327.147657
where:
bonds (distance) C4'-P energy: -47.768
bonds (distance) P-C4' energy: -74.840
flat angles C4'-P-C4' energy: -86.275
flat angles P-C4'-P energy: -33.631
tors. eta vs tors. theta energy: -84.634
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: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1110.376850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.376850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.376850 (E_RNA)
where:
Base-Base interactions energy: -790.287
where: short stacking energy: -333.414
Base-Backbone interact. energy: 0.103
local terms energy: -320.193788
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -56.275
flat angles C4'-P-C4' energy: -70.550
flat angles P-C4'-P energy: -46.801
tors. eta vs tors. theta energy: -89.622
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: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1032.345382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.345382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.345382 (E_RNA)
where:
Base-Base interactions energy: -699.402
where: short stacking energy: -288.853
Base-Backbone interact. energy: -0.142
local terms energy: -332.801996
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -65.808
flat angles C4'-P-C4' energy: -70.220
flat angles P-C4'-P energy: -52.813
tors. eta vs tors. theta energy: -79.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -880.149046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.149046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.149046 (E_RNA)
where:
Base-Base interactions energy: -595.433
where: short stacking energy: -245.145
Base-Backbone interact. energy: -1.093
local terms energy: -283.623197
where:
bonds (distance) C4'-P energy: -60.143
bonds (distance) P-C4' energy: -74.082
flat angles C4'-P-C4' energy: -69.268
flat angles P-C4'-P energy: -44.366
tors. eta vs tors. theta energy: -35.764
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: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -619.381522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.381522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.381522 (E_RNA)
where:
Base-Base interactions energy: -359.689
where: short stacking energy: -166.227
Base-Backbone interact. energy: 2.439
local terms energy: -262.131768
where:
bonds (distance) C4'-P energy: -65.626
bonds (distance) P-C4' energy: -62.597
flat angles C4'-P-C4' energy: -66.604
flat angles P-C4'-P energy: -39.074
tors. eta vs tors. theta energy: -28.230
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: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1463.668756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.668756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.668756 (E_RNA)
where:
Base-Base interactions energy: -1041.351
where: short stacking energy: -436.020
Base-Backbone interact. energy: -0.615
local terms energy: -421.702083
where:
bonds (distance) C4'-P energy: -76.062
bonds (distance) P-C4' energy: -72.793
flat angles C4'-P-C4' energy: -89.477
flat angles P-C4'-P energy: -67.297
tors. eta vs tors. theta energy: -116.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1347.853088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.853088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.853088 (E_RNA)
where:
Base-Base interactions energy: -945.630
where: short stacking energy: -409.189
Base-Backbone interact. energy: 0.803
local terms energy: -403.026453
where:
bonds (distance) C4'-P energy: -64.755
bonds (distance) P-C4' energy: -69.055
flat angles C4'-P-C4' energy: -86.933
flat angles P-C4'-P energy: -62.848
tors. eta vs tors. theta energy: -119.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1327.052260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.052260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.052260 (E_RNA)
where:
Base-Base interactions energy: -966.888
where: short stacking energy: -389.331
Base-Backbone interact. energy: 4.034
local terms energy: -364.199030
where:
bonds (distance) C4'-P energy: -69.907
bonds (distance) P-C4' energy: -57.649
flat angles C4'-P-C4' energy: -79.015
flat angles P-C4'-P energy: -53.142
tors. eta vs tors. theta energy: -104.486
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: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1270.583769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.583769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.583769 (E_RNA)
where:
Base-Base interactions energy: -909.763
where: short stacking energy: -362.923
Base-Backbone interact. energy: 0.166
local terms energy: -360.986808
where:
bonds (distance) C4'-P energy: -68.265
bonds (distance) P-C4' energy: -62.030
flat angles C4'-P-C4' energy: -80.652
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -105.894
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: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1213.276117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.276117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.276117 (E_RNA)
where:
Base-Base interactions energy: -860.891
where: short stacking energy: -344.601
Base-Backbone interact. energy: -3.374
local terms energy: -349.011779
where:
bonds (distance) C4'-P energy: -61.371
bonds (distance) P-C4' energy: -62.417
flat angles C4'-P-C4' energy: -79.717
flat angles P-C4'-P energy: -55.547
tors. eta vs tors. theta energy: -89.959
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: 484
Temperature: 1.150000
Total energy: -1141.174527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.174527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.174527 (E_RNA)
where:
Base-Base interactions energy: -799.687
where: short stacking energy: -332.889
Base-Backbone interact. energy: -1.218
local terms energy: -340.269585
where:
bonds (distance) C4'-P energy: -59.220
bonds (distance) P-C4' energy: -69.031
flat angles C4'-P-C4' energy: -76.227
flat angles P-C4'-P energy: -45.857
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: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1122.733790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.733790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.733790 (E_RNA)
where:
Base-Base interactions energy: -797.050
where: short stacking energy: -320.307
Base-Backbone interact. energy: 0.415
local terms energy: -326.098703
where:
bonds (distance) C4'-P energy: -51.201
bonds (distance) P-C4' energy: -75.127
flat angles C4'-P-C4' energy: -68.812
flat angles P-C4'-P energy: -37.654
tors. eta vs tors. theta energy: -93.306
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: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1060.734041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.734041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.734041 (E_RNA)
where:
Base-Base interactions energy: -757.158
where: short stacking energy: -320.169
Base-Backbone interact. energy: -0.671
local terms energy: -302.904785
where:
bonds (distance) C4'-P energy: -55.130
bonds (distance) P-C4' energy: -59.763
flat angles C4'-P-C4' energy: -73.216
flat angles P-C4'-P energy: -35.811
tors. eta vs tors. theta energy: -78.985
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: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -943.501193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.501193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.501193 (E_RNA)
where:
Base-Base interactions energy: -662.871
where: short stacking energy: -258.585
Base-Backbone interact. energy: 2.781
local terms energy: -283.411796
where:
bonds (distance) C4'-P energy: -57.712
bonds (distance) P-C4' energy: -67.256
flat angles C4'-P-C4' energy: -62.567
flat angles P-C4'-P energy: -36.074
tors. eta vs tors. theta energy: -59.803
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: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -633.434971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.434971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.434971 (E_RNA)
where:
Base-Base interactions energy: -401.541
where: short stacking energy: -179.086
Base-Backbone interact. energy: 1.048
local terms energy: -232.941829
where:
bonds (distance) C4'-P energy: -52.142
bonds (distance) P-C4' energy: -58.345
flat angles C4'-P-C4' energy: -66.492
flat angles P-C4'-P energy: -34.835
tors. eta vs tors. theta energy: -21.128
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: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1462.481138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.481138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.481138 (E_RNA)
where:
Base-Base interactions energy: -1055.693
where: short stacking energy: -433.050
Base-Backbone interact. energy: -0.414
local terms energy: -406.374161
where:
bonds (distance) C4'-P energy: -80.597
bonds (distance) P-C4' energy: -68.366
flat angles C4'-P-C4' energy: -83.611
flat angles P-C4'-P energy: -57.645
tors. eta vs tors. theta energy: -116.156
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: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1351.838723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.838723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.838723 (E_RNA)
where:
Base-Base interactions energy: -954.767
where: short stacking energy: -394.915
Base-Backbone interact. energy: 0.727
local terms energy: -397.798117
where:
bonds (distance) C4'-P energy: -80.360
bonds (distance) P-C4' energy: -72.696
flat angles C4'-P-C4' energy: -80.250
flat angles P-C4'-P energy: -56.441
tors. eta vs tors. theta energy: -108.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1340.883391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.883391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.883391 (E_RNA)
where:
Base-Base interactions energy: -948.719
where: short stacking energy: -421.443
Base-Backbone interact. energy: -0.594
local terms energy: -391.570285
where:
bonds (distance) C4'-P energy: -68.452
bonds (distance) P-C4' energy: -67.119
flat angles C4'-P-C4' energy: -88.697
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -121.135
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: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1260.803250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.803250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.803250 (E_RNA)
where:
Base-Base interactions energy: -886.323
where: short stacking energy: -351.496
Base-Backbone interact. energy: -0.384
local terms energy: -374.095262
where:
bonds (distance) C4'-P energy: -74.955
bonds (distance) P-C4' energy: -75.648
flat angles C4'-P-C4' energy: -76.989
flat angles P-C4'-P energy: -54.144
tors. eta vs tors. theta energy: -92.358
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: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1248.855891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.855891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.855891 (E_RNA)
where:
Base-Base interactions energy: -884.452
where: short stacking energy: -384.842
Base-Backbone interact. energy: 0.694
local terms energy: -365.098638
where:
bonds (distance) C4'-P energy: -60.654
bonds (distance) P-C4' energy: -58.487
flat angles C4'-P-C4' energy: -87.042
flat angles P-C4'-P energy: -49.323
tors. eta vs tors. theta energy: -109.592
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: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1133.872582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.872582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.872582 (E_RNA)
where:
Base-Base interactions energy: -788.353
where: short stacking energy: -324.324
Base-Backbone interact. energy: -0.451
local terms energy: -345.068535
where:
bonds (distance) C4'-P energy: -67.502
bonds (distance) P-C4' energy: -68.763
flat angles C4'-P-C4' energy: -66.673
flat angles P-C4'-P energy: -54.464
tors. eta vs tors. theta energy: -87.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1079.925486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.925486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.925486 (E_RNA)
where:
Base-Base interactions energy: -756.972
where: short stacking energy: -318.100
Base-Backbone interact. energy: -0.469
local terms energy: -322.484560
where:
bonds (distance) C4'-P energy: -62.683
bonds (distance) P-C4' energy: -66.097
flat angles C4'-P-C4' energy: -71.332
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -85.809
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: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1035.106502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.106502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.106502 (E_RNA)
where:
Base-Base interactions energy: -718.663
where: short stacking energy: -303.682
Base-Backbone interact. energy: -1.466
local terms energy: -314.977890
where:
bonds (distance) C4'-P energy: -68.251
bonds (distance) P-C4' energy: -58.118
flat angles C4'-P-C4' energy: -66.082
flat angles P-C4'-P energy: -45.044
tors. eta vs tors. theta energy: -77.482
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: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -954.173185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.173185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.173185 (E_RNA)
where:
Base-Base interactions energy: -662.520
where: short stacking energy: -281.680
Base-Backbone interact. energy: -1.298
local terms energy: -290.355570
where:
bonds (distance) C4'-P energy: -49.000
bonds (distance) P-C4' energy: -67.836
flat angles C4'-P-C4' energy: -54.518
flat angles P-C4'-P energy: -47.823
tors. eta vs tors. theta energy: -71.179
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: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -642.936901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.936901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.936901 (E_RNA)
where:
Base-Base interactions energy: -420.359
where: short stacking energy: -179.647
Base-Backbone interact. energy: 0.096
local terms energy: -222.673384
where:
bonds (distance) C4'-P energy: -50.929
bonds (distance) P-C4' energy: -60.177
flat angles C4'-P-C4' energy: -67.949
flat angles P-C4'-P energy: -24.151
tors. eta vs tors. theta energy: -19.468
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: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1467.579765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.579765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.579765 (E_RNA)
where:
Base-Base interactions energy: -1034.111
where: short stacking energy: -438.808
Base-Backbone interact. energy: -2.695
local terms energy: -430.774336
where:
bonds (distance) C4'-P energy: -83.907
bonds (distance) P-C4' energy: -74.942
flat angles C4'-P-C4' energy: -90.285
flat angles P-C4'-P energy: -59.698
tors. eta vs tors. theta energy: -121.942
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: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1371.342800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.342800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.342800 (E_RNA)
where:
Base-Base interactions energy: -977.630
where: short stacking energy: -395.384
Base-Backbone interact. energy: 1.195
local terms energy: -394.907877
where:
bonds (distance) C4'-P energy: -73.474
bonds (distance) P-C4' energy: -72.020
flat angles C4'-P-C4' energy: -85.647
flat angles P-C4'-P energy: -58.577
tors. eta vs tors. theta energy: -105.190
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: 486
Temperature: 1.000000
Total energy: -1321.435442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.435442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.435442 (E_RNA)
where:
Base-Base interactions energy: -908.231
where: short stacking energy: -374.753
Base-Backbone interact. energy: 0.658
local terms energy: -413.862783
where:
bonds (distance) C4'-P energy: -76.204
bonds (distance) P-C4' energy: -80.434
flat angles C4'-P-C4' energy: -81.337
flat angles P-C4'-P energy: -58.594
tors. eta vs tors. theta energy: -117.294
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: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1248.116915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.116915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.116915 (E_RNA)
where:
Base-Base interactions energy: -873.361
where: short stacking energy: -359.734
Base-Backbone interact. energy: 0.212
local terms energy: -374.967606
where:
bonds (distance) C4'-P energy: -71.833
bonds (distance) P-C4' energy: -75.669
flat angles C4'-P-C4' energy: -79.811
flat angles P-C4'-P energy: -54.414
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: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1256.935834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.935834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.935834 (E_RNA)
where:
Base-Base interactions energy: -903.876
where: short stacking energy: -389.027
Base-Backbone interact. energy: -0.963
local terms energy: -352.097020
where:
bonds (distance) C4'-P energy: -69.154
bonds (distance) P-C4' energy: -61.279
flat angles C4'-P-C4' energy: -71.845
flat angles P-C4'-P energy: -49.678
tors. eta vs tors. theta energy: -100.141
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: 486
Temperature: 1.150000
Total energy: -1132.869637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.869637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.869637 (E_RNA)
where:
Base-Base interactions energy: -787.208
where: short stacking energy: -333.984
Base-Backbone interact. energy: 0.334
local terms energy: -345.995712
where:
bonds (distance) C4'-P energy: -64.187
bonds (distance) P-C4' energy: -66.892
flat angles C4'-P-C4' energy: -72.983
flat angles P-C4'-P energy: -56.286
tors. eta vs tors. theta energy: -85.647
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: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1125.601583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.601583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.601583 (E_RNA)
where:
Base-Base interactions energy: -805.634
where: short stacking energy: -345.646
Base-Backbone interact. energy: -0.640
local terms energy: -319.327323
where:
bonds (distance) C4'-P energy: -54.662
bonds (distance) P-C4' energy: -57.675
flat angles C4'-P-C4' energy: -73.560
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: -83.564
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: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1048.348562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.348562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.348562 (E_RNA)
where:
Base-Base interactions energy: -718.149
where: short stacking energy: -291.228
Base-Backbone interact. energy: -0.549
local terms energy: -329.650246
where:
bonds (distance) C4'-P energy: -58.610
bonds (distance) P-C4' energy: -66.194
flat angles C4'-P-C4' energy: -82.406
flat angles P-C4'-P energy: -48.275
tors. eta vs tors. theta energy: -74.165
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: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -939.458950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.458950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.458950 (E_RNA)
where:
Base-Base interactions energy: -652.026
where: short stacking energy: -282.733
Base-Backbone interact. energy: 1.918
local terms energy: -289.351062
where:
bonds (distance) C4'-P energy: -57.241
bonds (distance) P-C4' energy: -68.565
flat angles C4'-P-C4' energy: -59.921
flat angles P-C4'-P energy: -41.598
tors. eta vs tors. theta energy: -62.026
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: 2
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -644.665624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.665624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.665624 (E_RNA)
where:
Base-Base interactions energy: -396.295
where: short stacking energy: -198.192
Base-Backbone interact. energy: -0.298
local terms energy: -248.072325
where:
bonds (distance) C4'-P energy: -62.220
bonds (distance) P-C4' energy: -54.364
flat angles C4'-P-C4' energy: -63.063
flat angles P-C4'-P energy: -37.482
tors. eta vs tors. theta energy: -30.943
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: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1457.675244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.675244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.675244 (E_RNA)
where:
Base-Base interactions energy: -1046.063
where: short stacking energy: -433.210
Base-Backbone interact. energy: 4.680
local terms energy: -416.292228
where:
bonds (distance) C4'-P energy: -73.544
bonds (distance) P-C4' energy: -78.927
flat angles C4'-P-C4' energy: -87.459
flat angles P-C4'-P energy: -53.437
tors. eta vs tors. theta energy: -122.926
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: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1353.504180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.504180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.504180 (E_RNA)
where:
Base-Base interactions energy: -958.400
where: short stacking energy: -384.867
Base-Backbone interact. energy: -1.518
local terms energy: -393.586328
where:
bonds (distance) C4'-P energy: -69.855
bonds (distance) P-C4' energy: -79.490
flat angles C4'-P-C4' energy: -78.325
flat angles P-C4'-P energy: -59.286
tors. eta vs tors. theta energy: -106.631
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: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1321.225032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.225032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.225032 (E_RNA)
where:
Base-Base interactions energy: -917.516
where: short stacking energy: -401.106
Base-Backbone interact. energy: -0.461
local terms energy: -403.247742
where:
bonds (distance) C4'-P energy: -72.111
bonds (distance) P-C4' energy: -79.502
flat angles C4'-P-C4' energy: -86.923
flat angles P-C4'-P energy: -45.749
tors. eta vs tors. theta energy: -118.963
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: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1284.930607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.930607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.930607 (E_RNA)
where:
Base-Base interactions energy: -904.821
where: short stacking energy: -383.821
Base-Backbone interact. energy: -2.344
local terms energy: -377.765334
where:
bonds (distance) C4'-P energy: -65.070
bonds (distance) P-C4' energy: -72.791
flat angles C4'-P-C4' energy: -86.332
flat angles P-C4'-P energy: -50.161
tors. eta vs tors. theta energy: -103.411
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: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1202.727104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.727104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.727104 (E_RNA)
where:
Base-Base interactions energy: -845.097
where: short stacking energy: -347.137
Base-Backbone interact. energy: -2.213
local terms energy: -355.416522
where:
bonds (distance) C4'-P energy: -53.357
bonds (distance) P-C4' energy: -74.677
flat angles C4'-P-C4' energy: -78.560
flat angles P-C4'-P energy: -54.798
tors. eta vs tors. theta energy: -94.026
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: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1107.727699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.727699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.727699 (E_RNA)
where:
Base-Base interactions energy: -768.325
where: short stacking energy: -313.429
Base-Backbone interact. energy: -0.445
local terms energy: -338.957439
where:
bonds (distance) C4'-P energy: -69.518
bonds (distance) P-C4' energy: -55.376
flat angles C4'-P-C4' energy: -83.954
flat angles P-C4'-P energy: -42.949
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: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1092.617687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.617687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.617687 (E_RNA)
where:
Base-Base interactions energy: -750.354
where: short stacking energy: -306.982
Base-Backbone interact. energy: -0.834
local terms energy: -341.429330
where:
bonds (distance) C4'-P energy: -64.419
bonds (distance) P-C4' energy: -74.724
flat angles C4'-P-C4' energy: -69.698
flat angles P-C4'-P energy: -51.257
tors. eta vs tors. theta energy: -81.332
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: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1072.479985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.479985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.479985 (E_RNA)
where:
Base-Base interactions energy: -737.722
where: short stacking energy: -316.550
Base-Backbone interact. energy: 1.660
local terms energy: -336.417796
where:
bonds (distance) C4'-P energy: -67.624
bonds (distance) P-C4' energy: -65.300
flat angles C4'-P-C4' energy: -70.714
flat angles P-C4'-P energy: -41.658
tors. eta vs tors. theta energy: -91.123
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: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -951.084204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.084204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.084204 (E_RNA)
where:
Base-Base interactions energy: -651.769
where: short stacking energy: -264.722
Base-Backbone interact. energy: 1.348
local terms energy: -300.662879
where:
bonds (distance) C4'-P energy: -58.996
bonds (distance) P-C4' energy: -63.665
flat angles C4'-P-C4' energy: -67.868
flat angles P-C4'-P energy: -49.952
tors. eta vs tors. theta energy: -60.182
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: 10, replica: 2
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -627.403302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.403302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.403302 (E_RNA)
where:
Base-Base interactions energy: -374.896
where: short stacking energy: -170.008
Base-Backbone interact. energy: 3.319
local terms energy: -255.826745
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -65.011
flat angles C4'-P-C4' energy: -58.374
flat angles P-C4'-P energy: -50.218
tors. eta vs tors. theta energy: -28.907
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: 1, replica: 1
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1464.248922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.248922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.248922 (E_RNA)
where:
Base-Base interactions energy: -1053.323
where: short stacking energy: -443.568
Base-Backbone interact. energy: -0.953
local terms energy: -409.973123
where:
bonds (distance) C4'-P energy: -71.370
bonds (distance) P-C4' energy: -73.585
flat angles C4'-P-C4' energy: -89.164
flat angles P-C4'-P energy: -57.500
tors. eta vs tors. theta energy: -118.354
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: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1359.300845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.300845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.300845 (E_RNA)
where:
Base-Base interactions energy: -981.862
where: short stacking energy: -396.990
Base-Backbone interact. energy: 3.190
local terms energy: -380.629154
where:
bonds (distance) C4'-P energy: -71.466
bonds (distance) P-C4' energy: -64.991
flat angles C4'-P-C4' energy: -77.262
flat angles P-C4'-P energy: -55.000
tors. eta vs tors. theta energy: -111.910
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: 488
Temperature: 1.000000
Total energy: -1330.137330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.137330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.137330 (E_RNA)
where:
Base-Base interactions energy: -922.456
where: short stacking energy: -393.851
Base-Backbone interact. energy: -0.366
local terms energy: -407.315304
where:
bonds (distance) C4'-P energy: -75.759
bonds (distance) P-C4' energy: -68.094
flat angles C4'-P-C4' energy: -88.112
flat angles P-C4'-P energy: -64.436
tors. eta vs tors. theta energy: -110.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1257.477385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.477385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.477385 (E_RNA)
where:
Base-Base interactions energy: -878.342
where: short stacking energy: -374.874
Base-Backbone interact. energy: -2.778
local terms energy: -376.356681
where:
bonds (distance) C4'-P energy: -64.882
bonds (distance) P-C4' energy: -73.075
flat angles C4'-P-C4' energy: -79.318
flat angles P-C4'-P energy: -61.101
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: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1210.856245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.856245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.856245 (E_RNA)
where:
Base-Base interactions energy: -844.996
where: short stacking energy: -348.863
Base-Backbone interact. energy: -0.585
local terms energy: -365.275460
where:
bonds (distance) C4'-P energy: -66.757
bonds (distance) P-C4' energy: -67.779
flat angles C4'-P-C4' energy: -79.758
flat angles P-C4'-P energy: -54.769
tors. eta vs tors. theta energy: -96.213
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: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1144.482593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.482593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.482593 (E_RNA)
where:
Base-Base interactions energy: -803.502
where: short stacking energy: -335.701
Base-Backbone interact. energy: -0.535
local terms energy: -340.444923
where:
bonds (distance) C4'-P energy: -67.323
bonds (distance) P-C4' energy: -64.233
flat angles C4'-P-C4' energy: -70.564
flat angles P-C4'-P energy: -49.307
tors. eta vs tors. theta energy: -89.017
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: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1077.019105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.019105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.019105 (E_RNA)
where:
Base-Base interactions energy: -751.645
where: short stacking energy: -296.622
Base-Backbone interact. energy: -0.136
local terms energy: -325.237678
where:
bonds (distance) C4'-P energy: -64.460
bonds (distance) P-C4' energy: -65.644
flat angles C4'-P-C4' energy: -66.142
flat angles P-C4'-P energy: -47.093
tors. eta vs tors. theta energy: -81.898
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: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1021.398598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.398598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.398598 (E_RNA)
where:
Base-Base interactions energy: -719.761
where: short stacking energy: -307.939
Base-Backbone interact. energy: -0.583
local terms energy: -301.054689
where:
bonds (distance) C4'-P energy: -50.154
bonds (distance) P-C4' energy: -50.813
flat angles C4'-P-C4' energy: -63.320
flat angles P-C4'-P energy: -50.540
tors. eta vs tors. theta energy: -86.227
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: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -930.825361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.825361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.825361 (E_RNA)
where:
Base-Base interactions energy: -654.585
where: short stacking energy: -270.494
Base-Backbone interact. energy: 0.163
local terms energy: -276.403057
where:
bonds (distance) C4'-P energy: -56.694
bonds (distance) P-C4' energy: -63.121
flat angles C4'-P-C4' energy: -54.571
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: -59.882
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: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -657.236717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.236717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.236717 (E_RNA)
where:
Base-Base interactions energy: -412.380
where: short stacking energy: -178.337
Base-Backbone interact. energy: -1.419
local terms energy: -243.438023
where:
bonds (distance) C4'-P energy: -66.712
bonds (distance) P-C4' energy: -67.561
flat angles C4'-P-C4' energy: -68.782
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -22.794
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: 1, replica: 1
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1466.426689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.426689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.426689 (E_RNA)
where:
Base-Base interactions energy: -1041.421
where: short stacking energy: -434.479
Base-Backbone interact. energy: -0.587
local terms energy: -424.418173
where:
bonds (distance) C4'-P energy: -74.933
bonds (distance) P-C4' energy: -81.719
flat angles C4'-P-C4' energy: -87.051
flat angles P-C4'-P energy: -64.118
tors. eta vs tors. theta energy: -116.597
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: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1341.987631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.987631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.987631 (E_RNA)
where:
Base-Base interactions energy: -940.345
where: short stacking energy: -396.080
Base-Backbone interact. energy: -0.969
local terms energy: -400.672979
where:
bonds (distance) C4'-P energy: -64.595
bonds (distance) P-C4' energy: -79.573
flat angles C4'-P-C4' energy: -88.125
flat angles P-C4'-P energy: -54.240
tors. eta vs tors. theta energy: -114.140
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: 489
Temperature: 1.000000
Total energy: -1318.949677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.949677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.949677 (E_RNA)
where:
Base-Base interactions energy: -933.634
where: short stacking energy: -401.198
Base-Backbone interact. energy: 0.302
local terms energy: -385.617822
where:
bonds (distance) C4'-P energy: -66.909
bonds (distance) P-C4' energy: -71.217
flat angles C4'-P-C4' energy: -85.306
flat angles P-C4'-P energy: -52.609
tors. eta vs tors. theta energy: -109.576
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: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1241.197606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.197606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.197606 (E_RNA)
where:
Base-Base interactions energy: -874.962
where: short stacking energy: -380.418
Base-Backbone interact. energy: -2.188
local terms energy: -364.047404
where:
bonds (distance) C4'-P energy: -71.894
bonds (distance) P-C4' energy: -50.833
flat angles C4'-P-C4' energy: -84.027
flat angles P-C4'-P energy: -52.081
tors. eta vs tors. theta energy: -105.212
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: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1238.947718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.947718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.947718 (E_RNA)
where:
Base-Base interactions energy: -879.099
where: short stacking energy: -374.507
Base-Backbone interact. energy: -0.867
local terms energy: -358.981294
where:
bonds (distance) C4'-P energy: -70.305
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -78.230
flat angles P-C4'-P energy: -43.555
tors. eta vs tors. theta energy: -111.599
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: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1137.912418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.912418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.912418 (E_RNA)
where:
Base-Base interactions energy: -798.184
where: short stacking energy: -326.872
Base-Backbone interact. energy: -1.116
local terms energy: -338.612355
where:
bonds (distance) C4'-P energy: -58.966
bonds (distance) P-C4' energy: -61.480
flat angles C4'-P-C4' energy: -85.140
flat angles P-C4'-P energy: -47.049
tors. eta vs tors. theta energy: -85.977
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: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1069.363096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.363096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.363096 (E_RNA)
where:
Base-Base interactions energy: -740.432
where: short stacking energy: -306.269
Base-Backbone interact. energy: -0.706
local terms energy: -328.225568
where:
bonds (distance) C4'-P energy: -64.494
bonds (distance) P-C4' energy: -66.438
flat angles C4'-P-C4' energy: -70.463
flat angles P-C4'-P energy: -51.083
tors. eta vs tors. theta energy: -75.747
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: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1070.929219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.929219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.929219 (E_RNA)
where:
Base-Base interactions energy: -741.427
where: short stacking energy: -316.152
Base-Backbone interact. energy: 3.190
local terms energy: -332.692151
where:
bonds (distance) C4'-P energy: -59.594
bonds (distance) P-C4' energy: -68.359
flat angles C4'-P-C4' energy: -73.287
flat angles P-C4'-P energy: -43.929
tors. eta vs tors. theta energy: -87.523
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: 489
Temperature: 1.300000
Total energy: -920.528108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.528108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.528108 (E_RNA)
where:
Base-Base interactions energy: -645.039
where: short stacking energy: -272.487
Base-Backbone interact. energy: 3.503
local terms energy: -278.992181
where:
bonds (distance) C4'-P energy: -59.217
bonds (distance) P-C4' energy: -54.723
flat angles C4'-P-C4' energy: -64.085
flat angles P-C4'-P energy: -34.113
tors. eta vs tors. theta energy: -66.854
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: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -657.612147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.612147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.612147 (E_RNA)
where:
Base-Base interactions energy: -439.219
where: short stacking energy: -213.584
Base-Backbone interact. energy: 6.777
local terms energy: -225.169846
where:
bonds (distance) C4'-P energy: -47.145
bonds (distance) P-C4' energy: -70.737
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -35.602
tors. eta vs tors. theta energy: -33.728
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: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1467.211222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.211222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.211222 (E_RNA)
where:
Base-Base interactions energy: -1040.825
where: short stacking energy: -438.722
Base-Backbone interact. energy: -1.645
local terms energy: -424.740883
where:
bonds (distance) C4'-P energy: -84.969
bonds (distance) P-C4' energy: -78.479
flat angles C4'-P-C4' energy: -82.982
flat angles P-C4'-P energy: -58.681
tors. eta vs tors. theta energy: -119.630
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: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1362.600185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.600185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.600185 (E_RNA)
where:
Base-Base interactions energy: -967.343
where: short stacking energy: -397.327
Base-Backbone interact. energy: -0.740
local terms energy: -394.517934
where:
bonds (distance) C4'-P energy: -73.413
bonds (distance) P-C4' energy: -73.880
flat angles C4'-P-C4' energy: -82.888
flat angles P-C4'-P energy: -55.475
tors. eta vs tors. theta energy: -108.862
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: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1270.602668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.602668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.602668 (E_RNA)
where:
Base-Base interactions energy: -873.168
where: short stacking energy: -362.250
Base-Backbone interact. energy: -3.908
local terms energy: -393.526920
where:
bonds (distance) C4'-P energy: -77.080
bonds (distance) P-C4' energy: -80.056
flat angles C4'-P-C4' energy: -81.970
flat angles P-C4'-P energy: -49.686
tors. eta vs tors. theta energy: -104.734
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: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1299.046980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.046980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.046980 (E_RNA)
where:
Base-Base interactions energy: -911.746
where: short stacking energy: -381.632
Base-Backbone interact. energy: -1.152
local terms energy: -386.149379
where:
bonds (distance) C4'-P energy: -74.765
bonds (distance) P-C4' energy: -72.919
flat angles C4'-P-C4' energy: -75.328
flat angles P-C4'-P energy: -51.994
tors. eta vs tors. theta energy: -111.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1219.969172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.969172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.969172 (E_RNA)
where:
Base-Base interactions energy: -877.212
where: short stacking energy: -350.393
Base-Backbone interact. energy: -1.026
local terms energy: -341.731265
where:
bonds (distance) C4'-P energy: -61.404
bonds (distance) P-C4' energy: -64.482
flat angles C4'-P-C4' energy: -80.358
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -89.859
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: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1128.122395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.122395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.122395 (E_RNA)
where:
Base-Base interactions energy: -781.532
where: short stacking energy: -318.330
Base-Backbone interact. energy: -1.445
local terms energy: -345.144806
where:
bonds (distance) C4'-P energy: -64.821
bonds (distance) P-C4' energy: -69.276
flat angles C4'-P-C4' energy: -81.836
flat angles P-C4'-P energy: -45.054
tors. eta vs tors. theta energy: -84.158
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: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1047.388795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.388795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.388795 (E_RNA)
where:
Base-Base interactions energy: -716.941
where: short stacking energy: -276.112
Base-Backbone interact. energy: 0.398
local terms energy: -330.844986
where:
bonds (distance) C4'-P energy: -73.400
bonds (distance) P-C4' energy: -74.674
flat angles C4'-P-C4' energy: -63.458
flat angles P-C4'-P energy: -53.655
tors. eta vs tors. theta energy: -65.658
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: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1004.210845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.210845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.210845 (E_RNA)
where:
Base-Base interactions energy: -678.509
where: short stacking energy: -285.052
Base-Backbone interact. energy: -0.566
local terms energy: -325.136177
where:
bonds (distance) C4'-P energy: -66.032
bonds (distance) P-C4' energy: -80.016
flat angles C4'-P-C4' energy: -71.896
flat angles P-C4'-P energy: -41.531
tors. eta vs tors. theta energy: -65.660
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: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -933.025773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.025773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.025773 (E_RNA)
where:
Base-Base interactions energy: -639.676
where: short stacking energy: -251.564
Base-Backbone interact. energy: 0.368
local terms energy: -293.717512
where:
bonds (distance) C4'-P energy: -67.332
bonds (distance) P-C4' energy: -59.643
flat angles C4'-P-C4' energy: -68.330
flat angles P-C4'-P energy: -47.491
tors. eta vs tors. theta energy: -50.921
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: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -617.155217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.155217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.155217 (E_RNA)
where:
Base-Base interactions energy: -389.342
where: short stacking energy: -170.185
Base-Backbone interact. energy: -0.932
local terms energy: -226.880992
where:
bonds (distance) C4'-P energy: -54.486
bonds (distance) P-C4' energy: -70.243
flat angles C4'-P-C4' energy: -45.965
flat angles P-C4'-P energy: -30.948
tors. eta vs tors. theta energy: -25.239
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: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1480.144150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.144150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.144150 (E_RNA)
where:
Base-Base interactions energy: -1054.113
where: short stacking energy: -424.027
Base-Backbone interact. energy: -0.875
local terms energy: -425.156597
where:
bonds (distance) C4'-P energy: -79.872
bonds (distance) P-C4' energy: -75.216
flat angles C4'-P-C4' energy: -82.368
flat angles P-C4'-P energy: -60.530
tors. eta vs tors. theta energy: -127.170
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: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1343.814031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.814031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.814031 (E_RNA)
where:
Base-Base interactions energy: -955.188
where: short stacking energy: -389.968
Base-Backbone interact. energy: -1.175
local terms energy: -387.450452
where:
bonds (distance) C4'-P energy: -68.672
bonds (distance) P-C4' energy: -73.628
flat angles C4'-P-C4' energy: -82.895
flat angles P-C4'-P energy: -58.489
tors. eta vs tors. theta energy: -103.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1289.680321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.680321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.680321 (E_RNA)
where:
Base-Base interactions energy: -910.791
where: short stacking energy: -380.969
Base-Backbone interact. energy: -3.323
local terms energy: -375.566382
where:
bonds (distance) C4'-P energy: -72.214
bonds (distance) P-C4' energy: -60.973
flat angles C4'-P-C4' energy: -75.083
flat angles P-C4'-P energy: -57.443
tors. eta vs tors. theta energy: -109.853
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: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1318.447536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.447536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.447536 (E_RNA)
where:
Base-Base interactions energy: -932.186
where: short stacking energy: -392.536
Base-Backbone interact. energy: -0.647
local terms energy: -385.615116
where:
bonds (distance) C4'-P energy: -71.098
bonds (distance) P-C4' energy: -66.365
flat angles C4'-P-C4' energy: -80.560
flat angles P-C4'-P energy: -55.146
tors. eta vs tors. theta energy: -112.446
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: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1212.565530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.565530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.565530 (E_RNA)
where:
Base-Base interactions energy: -856.025
where: short stacking energy: -357.729
Base-Backbone interact. energy: -2.432
local terms energy: -354.108525
where:
bonds (distance) C4'-P energy: -64.412
bonds (distance) P-C4' energy: -57.628
flat angles C4'-P-C4' energy: -82.376
flat angles P-C4'-P energy: -50.295
tors. eta vs tors. theta energy: -99.398
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: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1114.709001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.709001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.709001 (E_RNA)
where:
Base-Base interactions energy: -774.367
where: short stacking energy: -321.735
Base-Backbone interact. energy: 2.210
local terms energy: -342.551577
where:
bonds (distance) C4'-P energy: -51.862
bonds (distance) P-C4' energy: -78.622
flat angles C4'-P-C4' energy: -73.743
flat angles P-C4'-P energy: -46.281
tors. eta vs tors. theta energy: -92.045
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: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1043.727084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.727084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.727084 (E_RNA)
where:
Base-Base interactions energy: -711.570
where: short stacking energy: -327.276
Base-Backbone interact. energy: -1.281
local terms energy: -330.876221
where:
bonds (distance) C4'-P energy: -69.542
bonds (distance) P-C4' energy: -54.494
flat angles C4'-P-C4' energy: -68.195
flat angles P-C4'-P energy: -54.936
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: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -994.355608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.355608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.355608 (E_RNA)
where:
Base-Base interactions energy: -667.425
where: short stacking energy: -271.548
Base-Backbone interact. energy: -1.546
local terms energy: -325.383860
where:
bonds (distance) C4'-P energy: -61.132
bonds (distance) P-C4' energy: -76.790
flat angles C4'-P-C4' energy: -70.211
flat angles P-C4'-P energy: -44.878
tors. eta vs tors. theta energy: -72.372
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -872.901836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.901836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.901836 (E_RNA)
where:
Base-Base interactions energy: -607.521
where: short stacking energy: -266.566
Base-Backbone interact. energy: 2.312
local terms energy: -267.693264
where:
bonds (distance) C4'-P energy: -56.585
bonds (distance) P-C4' energy: -50.445
flat angles C4'-P-C4' energy: -66.421
flat angles P-C4'-P energy: -30.301
tors. eta vs tors. theta energy: -63.941
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: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -681.100387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.100387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.100387 (E_RNA)
where:
Base-Base interactions energy: -436.747
where: short stacking energy: -192.131
Base-Backbone interact. energy: 2.631
local terms energy: -246.983520
where:
bonds (distance) C4'-P energy: -64.175
bonds (distance) P-C4' energy: -65.189
flat angles C4'-P-C4' energy: -54.399
flat angles P-C4'-P energy: -35.632
tors. eta vs tors. theta energy: -27.587
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)
out arg RESULTS//1/kb1-4e4c2890_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1463.126436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.126436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.126436 (E_RNA)
where:
Base-Base interactions energy: -1052.871
where: short stacking energy: -448.300
Base-Backbone interact. energy: -0.665
local terms energy: -409.590977
where:
bonds (distance) C4'-P energy: -70.170
bonds (distance) P-C4' energy: -78.180
flat angles C4'-P-C4' energy: -85.098
flat angles P-C4'-P energy: -51.842
tors. eta vs tors. theta energy: -124.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1351.745105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.745105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.745105 (E_RNA)
where:
Base-Base interactions energy: -951.202
where: short stacking energy: -386.732
Base-Backbone interact. energy: -1.672
local terms energy: -398.871200
where:
bonds (distance) C4'-P energy: -72.020
bonds (distance) P-C4' energy: -68.752
flat angles C4'-P-C4' energy: -86.477
flat angles P-C4'-P energy: -59.104
tors. eta vs tors. theta energy: -112.517
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: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1325.459419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.459419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.459419 (E_RNA)
where:
Base-Base interactions energy: -939.744
where: short stacking energy: -399.948
Base-Backbone interact. energy: -0.799
local terms energy: -384.916322
where:
bonds (distance) C4'-P energy: -66.243
bonds (distance) P-C4' energy: -80.868
flat angles C4'-P-C4' energy: -85.051
flat angles P-C4'-P energy: -43.077
tors. eta vs tors. theta energy: -109.677
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: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1224.669592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.669592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.669592 (E_RNA)
where:
Base-Base interactions energy: -859.218
where: short stacking energy: -362.850
Base-Backbone interact. energy: -1.814
local terms energy: -363.638170
where:
bonds (distance) C4'-P energy: -58.409
bonds (distance) P-C4' energy: -65.922
flat angles C4'-P-C4' energy: -78.965
flat angles P-C4'-P energy: -53.339
tors. eta vs tors. theta energy: -107.002
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: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1250.467198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.467198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.467198 (E_RNA)
where:
Base-Base interactions energy: -892.469
where: short stacking energy: -377.645
Base-Backbone interact. energy: -0.865
local terms energy: -357.133316
where:
bonds (distance) C4'-P energy: -71.180
bonds (distance) P-C4' energy: -63.137
flat angles C4'-P-C4' energy: -76.194
flat angles P-C4'-P energy: -46.102
tors. eta vs tors. theta energy: -100.520
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: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1139.883822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.883822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.883822 (E_RNA)
where:
Base-Base interactions energy: -805.157
where: short stacking energy: -347.082
Base-Backbone interact. energy: -1.265
local terms energy: -333.461625
where:
bonds (distance) C4'-P energy: -65.617
bonds (distance) P-C4' energy: -69.835
flat angles C4'-P-C4' energy: -71.191
flat angles P-C4'-P energy: -38.904
tors. eta vs tors. theta energy: -87.914
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: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1010.012171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.012171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.012171 (E_RNA)
where:
Base-Base interactions energy: -704.157
where: short stacking energy: -298.463
Base-Backbone interact. energy: -1.589
local terms energy: -304.265536
where:
bonds (distance) C4'-P energy: -45.820
bonds (distance) P-C4' energy: -61.846
flat angles C4'-P-C4' energy: -74.898
flat angles P-C4'-P energy: -43.627
tors. eta vs tors. theta energy: -78.075
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: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -973.198934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.198934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.198934 (E_RNA)
where:
Base-Base interactions energy: -675.181
where: short stacking energy: -278.739
Base-Backbone interact. energy: 2.376
local terms energy: -300.393636
where:
bonds (distance) C4'-P energy: -59.346
bonds (distance) P-C4' energy: -60.906
flat angles C4'-P-C4' energy: -74.243
flat angles P-C4'-P energy: -41.521
tors. eta vs tors. theta energy: -64.378
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: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -924.351435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.351435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.351435 (E_RNA)
where:
Base-Base interactions energy: -644.665
where: short stacking energy: -258.879
Base-Backbone interact. energy: -0.581
local terms energy: -279.105360
where:
bonds (distance) C4'-P energy: -63.210
bonds (distance) P-C4' energy: -63.498
flat angles C4'-P-C4' energy: -59.463
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: -64.739
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: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -649.732698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.732698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.732698 (E_RNA)
where:
Base-Base interactions energy: -426.149
where: short stacking energy: -191.024
Base-Backbone interact. energy: -0.223
local terms energy: -223.361023
where:
bonds (distance) C4'-P energy: -58.510
bonds (distance) P-C4' energy: -55.244
flat angles C4'-P-C4' energy: -59.488
flat angles P-C4'-P energy: -24.282
tors. eta vs tors. theta energy: -25.836
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)